NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 139 S 4.4446 8.3344 115.4220 58.0035 65.3780 174.9249 140 D 4.4131 8.0667 119.4468 55.6738 41.5263 176.9666 141 F 4.4585 8.2214 121.2397 61.1236 39.8314 176.8322 142 S 3.6550 7.8509 113.2490 62.1843 63.1295 175.2087 143 E 3.7977 8.4083 122.2877 58.6411 27.6799 177.7241 144 K 3.8696 8.1984 120.9503 58.7367 32.6557 177.5073 145 Y 3.8009 7.9173 118.6344 58.4907 39.1734 177.2024 146 G 3.5420 8.1258 106.9831 48.0079 0.0000 175.5704 147 D 4.2409 7.8231 120.5967 57.4303 40.8857 178.6034 148 I 3.4275 6.8102 119.4308 64.0512 36.7351 178.0112 149 A 3.9308 7.4243 120.8068 55.4249 18.4338 179.4601 150 L 4.0574 7.6548 116.3171 57.7628 41.4760 179.2125 151 K 3.7532 7.7878 119.5130 59.6497 31.7280 178.4539 152 K 3.9508 7.8200 119.3881 59.3338 32.0950 179.0955 153 K 4.0073 8.0810 118.8042 59.1525 31.9385 179.3830 154 L 3.9570 7.9482 118.8585 58.0336 41.6234 178.8674 155 E 3.8131 7.6636 118.5769 59.4940 29.4536 179.0567 156 Q 3.9759 7.7989 117.8112 59.0883 28.7723 178.3781 157 N 4.5521 7.7615 117.4311 56.9632 38.6712 177.0551 158 T 3.9680 7.8247 116.5247 66.9136 68.5188 176.1465 159 K 3.8547 8.1707 119.8660 59.7885 32.2256 178.7967 160 K 3.8010 8.9797 120.4876 59.7981 32.0057 178.6885 161 L 3.9306 8.6084 119.2288 57.8120 41.8157 178.6079 162 D 4.0527 8.1091 117.9096 57.4426 41.0171 177.7175 163 E 3.8854 8.3149 119.8624 59.5204 29.4012 178.5815 164 E 3.8977 8.0963 119.0096 59.4587 29.8321 178.9722 165 S 3.8256 8.0778 114.1156 61.4600 62.8031 176.7277 166 S 4.1662 7.9809 118.4116 61.5541 62.5394 176.5495 167 Q 3.9806 7.8978 120.3935 59.0044 28.2925 178.5405 168 L 4.0463 8.5232 120.8101 58.2815 42.0955 178.5968 169 E 4.2364 8.1678 117.8729 59.8036 29.5003 179.1302 170 T 4.1872 7.6920 114.6865 65.9618 69.4428 175.9372 171 T 4.5458 7.7894 118.2563 62.2273 66.8395 172.4368 172 T 4.2650 7.7140 115.8998 60.3089 69.3566 172.8584 173 R 4.8137 7.8929 132.1945 55.3566 31.8636 177.4064 174 S 4.3802 8.5031 116.1533 59.4310 62.0658 175.0845 175 I 3.8436 7.5965 121.6030 61.6223 35.3182 174.9569 176 D 4.5911 8.1197 124.0114 55.0294 42.1539 178.0865 177 S 4.3047 7.8420 114.2227 58.3306 61.5947 174.2952 178 A 4.3096 8.3751 132.1573 55.1024 18.4274 178.4200 179 D 4.2755 8.0548 116.7140 57.6404 41.3396 177.7832 180 D 4.5626 7.8933 118.6221 56.6395 41.0466 178.2354 181 L 3.9762 8.4749 121.4381 58.4239 42.0333 178.8478 182 D 4.4127 7.9740 118.8995 57.4497 40.6242 178.5449 183 Q 4.2465 7.7850 118.7800 58.5823 28.9383 178.0384 184 F 4.2158 8.4810 122.2473 61.9581 39.4792 176.4135 185 I 3.3937 8.5333 119.0829 64.3661 36.7593 178.1792 186 K 4.0665 8.8743 120.0782 59.9125 32.4418 178.6286 187 N 4.2924 7.8894 116.7920 56.2113 38.5035 176.7806 188 Y 3.7645 7.9921 121.3272 61.1785 38.7714 177.2180 189 L 3.8240 8.5071 120.9164 58.3625 41.7293 178.7153 190 D 4.3241 8.3949 119.2070 57.6075 41.9705 178.9818 191 I 3.6818 8.2338 120.5771 64.5204 37.1321 178.2967 192 R 3.7792 8.3510 118.6739 59.8389 29.9779 178.9521 193 T 3.8730 8.1240 115.4905 67.0484 68.6696 176.1475 194 Q 3.9769 8.1144 121.0103 59.6319 28.9054 177.3665 195 Y 3.9976 7.8949 120.1388 60.7894 38.7643 177.2967 196 H 3.8978 8.5812 116.6564 58.8922 28.8232 177.2107 197 L 3.9735 7.6022 120.5590 58.8709 42.0089 179.0186 198 R 3.9099 7.9409 117.2342 58.7452 30.1036 179.0375 199 R 3.5628 7.8092 118.2991 59.5385 30.0341 177.8847 200 E 3.9618 8.6241 117.9575 60.1873 29.5773 179.0791 201 K 4.0722 7.9382 116.3121 59.9225 32.5826 178.2122 202 L 3.8411 7.6254 117.3252 58.4991 40.8960 176.9573 *203 A 4.0943 7.8102 125.9563 51.6027 18.8106 176.0524 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 139 S 8.33 4.44 0.00 4.01 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 0.00 140 D 8.07 4.41 0.00 2.93 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.22 4.46 0.00 3.14 3.03 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 0.00 142 S 7.85 3.66 0.00 4.01 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 0.00 143 E 8.41 3.80 0.00 2.30 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 0.00 2.38 2.42 0.00 144 K 8.20 3.87 0.00 1.90 1.86 0.00 1.70 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.50 1.54 7.81 145 Y 7.92 3.80 0.00 2.35 2.37 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 0.00 146 G 8.13 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 7.82 4.24 0.00 2.74 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 0.00 148 I 6.81 3.43 0.70 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.67 0.64 0.00 0.00 149 A 7.42 3.93 1.39 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 0.00 0.00 0.00 150 L 7.65 4.06 0.00 1.66 1.67 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 151 K 7.79 3.75 0.00 1.93 1.76 0.00 1.57 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 152 K 7.82 3.95 0.00 1.83 1.75 0.00 1.56 0.00 0.00 1.64 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.51 7.81 153 K 8.08 4.01 0.00 1.84 1.82 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.47 7.81 154 L 7.95 3.96 0.00 1.69 1.66 0.89 0.79 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 0.00 155 E 7.66 3.81 0.00 2.20 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 0.00 2.29 2.53 0.00 156 Q 7.80 3.98 0.00 2.29 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.50 0.00 0.00 0.00 0.00 0.00 2.38 2.57 0.00 157 N 7.76 4.55 0.00 2.76 2.88 0.00 0.00 7.08 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 T 7.82 3.97 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 1.20 0.00 0.00 159 K 8.17 3.85 0.00 1.94 1.90 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.49 7.81 160 K 8.98 3.80 0.00 1.70 2.04 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.51 7.81 161 L 8.61 3.93 0.00 2.01 1.77 0.91 1.18 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 0.00 162 D 8.11 4.05 0.00 2.62 2.64 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 0.00 163 E 8.31 3.89 0.00 2.20 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 2.32 2.63 0.00 164 E 8.10 3.90 0.00 2.26 2.12 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 2.29 2.32 0.00 165 S 8.08 3.83 0.00 3.98 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 0.00 166 S 7.98 4.17 0.00 4.10 3.96 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 0.00 0.00 0.00 167 Q 7.90 3.98 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 168 L 8.52 4.05 0.00 1.74 2.04 1.06 0.36 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 0.00 169 E 8.17 4.24 0.00 2.34 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 2.54 0.00 170 T 7.69 4.19 4.38 0.00 0.00 0.00 0.00 0.00 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 0.00 171 T 7.79 4.55 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 172 T 7.71 4.26 4.19 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 1.27 0.00 0.00 173 R 7.89 4.81 0.00 1.76 1.75 0.00 3.40 0.00 0.00 3.12 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 174 S 8.50 4.38 0.00 3.80 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 0.00 175 I 7.60 3.84 1.76 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.68 0.92 0.00 0.00 176 D 8.12 4.59 0.00 2.72 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 0.00 177 S 7.84 4.30 0.00 4.05 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 0.00 178 A 8.38 4.31 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 0.00 179 D 8.05 4.28 0.00 2.81 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 0.00 180 D 7.89 4.56 0.00 2.90 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 L 8.47 3.98 0.00 1.68 1.69 0.81 1.23 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 0.00 182 D 7.97 4.41 0.00 2.93 2.74 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 0.00 183 Q 7.79 4.25 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 184 F 8.48 4.22 0.00 3.19 3.22 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 0.00 0.00 0.00 185 I 8.53 3.39 2.18 0.00 0.00 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 1.47 0.76 0.93 0.00 0.00 186 K 8.87 4.07 0.00 1.83 2.05 0.00 1.51 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.58 7.81 187 N 7.89 4.29 0.00 2.94 2.81 0.00 0.00 6.73 7.35 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 0.00 188 Y 7.99 3.76 0.00 2.46 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.51 3.82 0.00 1.90 1.76 0.93 1.09 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 0.00 190 D 8.39 4.32 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 I 8.23 3.68 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.57 0.67 0.00 0.00 192 R 8.35 3.78 0.00 1.76 1.97 0.00 3.13 0.00 0.00 3.04 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.36 0.00 193 T 8.12 3.87 4.41 0.00 0.00 0.00 0.00 0.00 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 0.00 194 Q 8.11 3.98 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 195 Y 7.89 4.00 0.00 2.99 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 0.00 196 H 8.58 3.90 0.00 3.27 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 L 7.60 3.97 0.00 1.80 1.87 0.90 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 198 R 7.94 3.91 0.00 1.83 1.79 0.00 3.32 0.00 0.00 3.04 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 199 R 7.81 3.56 0.00 1.09 1.77 0.00 3.06 0.00 0.00 3.03 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 200 E 8.62 3.96 0.00 2.05 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 0.00 2.48 2.52 0.00 201 K 7.94 4.07 0.00 1.80 1.80 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.53 7.81 202 L 7.63 3.84 0.00 1.78 1.75 0.87 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 *203 A 7.81 4.09 1.26 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.