NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.8937 8.3501 109.7364 44.9485 0.0000 173.5050 -1 A 3.9321 8.4768 121.3655 55.0854 18.2845 178.6207 0 S 4.2199 8.7134 110.4604 59.4556 63.3383 174.1320 0 D 4.3899 8.7434 115.1604 55.3556 40.6383 175.8320 3 A 4.0312 8.0698 120.7881 54.9677 17.9963 179.7825 4 I 3.6348 7.2618 117.2044 64.5714 37.3677 178.3072 5 K 4.1176 7.9148 117.4736 59.1710 32.0092 178.8150 6 K 4.1046 7.9290 118.4923 59.1893 32.3407 179.6133 7 K 4.2206 7.6961 118.6052 56.4236 32.5173 176.7810 *9 Q 4.0916 7.9288 115.7630 55.5500 30.6625 176.1707 *11 L 4.2731 7.8312 118.0920 54.3281 43.8424 179.3992 12 K 4.0000 7.9310 117.5217 59.2270 31.8810 179.0387 13 L 3.9505 8.1861 120.8593 58.1953 42.1286 178.6128 14 D 4.3447 8.0976 118.3969 57.2197 40.7128 178.6241 15 K 3.8966 8.0000 119.8539 59.6772 32.2677 178.5647 16 E 3.9498 8.2560 118.8120 59.7203 29.3705 179.2836 17 N 4.3379 8.5399 116.3976 56.1638 38.5022 177.4128 18 A 4.0195 7.9970 122.1059 55.0280 18.3879 179.7069 19 L 3.9265 8.1683 117.7113 57.8868 41.6685 179.2727 20 D 4.3624 8.2376 118.9120 57.5856 40.7643 179.1590 21 R 3.9008 7.9831 118.0775 59.1366 29.9789 178.9897 22 A 3.9649 8.1598 120.4826 55.3094 18.5431 179.5398 23 E 3.8780 8.4079 117.3891 59.5409 29.5238 179.4905 24 Q 3.8997 8.1365 119.3491 59.1710 29.0850 178.1138 25 A 4.0145 8.1851 121.9173 55.2262 18.1728 179.4987 26 E 3.8808 8.3607 116.3939 59.2312 29.7284 179.1934 27 A 4.1090 7.8486 120.5984 55.1123 18.4759 179.4060 28 D 3.9616 7.9584 117.4215 57.1835 40.8386 178.6129 29 K 3.7207 8.0523 120.4247 59.5981 32.1217 177.9881 *215 D 4.6527 7.8781 117.2653 54.4124 42.8903 177.3545 216 F 4.3209 8.3706 120.5492 61.7396 39.2770 176.8145 217 Y 4.2498 8.2149 116.5941 61.1704 37.6233 178.3569 218 F 4.3053 8.9712 122.2076 61.0480 39.5646 177.3092 219 G 3.6334 8.3223 105.5040 47.8107 0.0000 175.7697 220 K 3.8861 7.5700 121.0862 59.0686 31.9630 179.4996 221 L 3.8593 7.7511 119.2086 57.6906 41.4822 179.7865 222 R 3.6881 7.7256 118.1327 59.2161 30.0285 178.8283 223 N 4.2830 7.8590 115.7628 56.3694 38.4373 177.5477 224 I 3.6215 7.7703 121.1737 64.1404 37.1035 177.9192 225 E 3.7568 8.3007 120.5388 59.3004 29.4346 178.5666 226 L 3.9344 7.8251 120.1306 58.2623 41.8510 179.0470 227 I 3.6595 7.4011 118.3783 64.5664 37.3576 177.7743 228 C 4.2079 8.2206 117.7365 63.0055 27.8247 176.2257 229 Q 4.0040 8.4157 119.8401 59.1583 28.1002 178.7057 230 E 4.0342 7.9951 118.3163 58.7945 29.7681 178.3030 231 N 4.8770 7.7285 114.3037 53.0204 39.0412 176.2665 232 E 4.0446 8.0285 124.6465 59.3297 29.4488 179.1772 233 G 3.7136 8.0309 106.6045 48.2989 0.0000 174.3310 234 E 3.9550 8.0436 118.4452 57.2806 29.8886 176.1591 235 N 4.0281 7.8067 116.8999 53.9828 38.0638 174.5184 236 D 4.4832 7.7525 116.8452 53.3173 42.7115 173.4823 237 P 4.2036 0.0000 0.0000 65.9308 31.3284 178.7936 238 V 3.5432 8.0428 118.1060 65.8115 31.3728 178.0758 239 L 3.9741 7.9934 118.3029 57.8663 41.4991 179.3604 240 Q 3.9295 8.3285 118.2007 58.7385 28.5758 178.8669 241 R 3.7686 8.1309 119.4397 59.1585 29.9867 179.0651 242 I 3.5918 7.6285 119.6369 64.1996 37.0822 178.4315 243 V 3.2238 7.8322 119.2870 66.2206 31.3647 177.8323 244 D 4.1589 7.7676 118.3263 57.1618 40.2212 178.9127 245 I 3.8296 7.2737 119.4400 64.3520 37.2189 177.8648 246 L 4.0028 7.6305 118.7359 57.8336 41.5563 178.5507 247 Y 4.8515 7.3518 112.1693 56.8989 38.5582 175.9907 248 A 4.4589 7.3809 123.3638 52.5339 19.3349 176.9348 249 T 4.8253 8.3537 110.1797 59.4984 71.5541 174.6513 250 D 4.6093 8.6561 119.9385 57.3434 40.7266 177.5667 251 E 4.1417 7.6928 116.8671 56.4734 30.3808 175.8376 252 G 3.7703 8.1763 105.1351 43.8124 0.0000 173.1339 253 F 4.9537 8.1983 118.5670 57.7433 39.6217 175.3539 254 V 3.9916 8.4455 117.4368 62.0645 32.8447 176.3112 255 I 3.2706 8.4199 121.5776 61.2037 34.1147 172.0710 256 P 4.2019 0.0000 0.0000 64.0548 32.2346 176.5028 257 D 4.7182 8.8947 121.2043 54.8359 42.1251 172.9442 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 -2 G 8.35 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 A 8.48 3.93 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 0 S 8.71 4.22 0.00 3.90 3.88 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 0 D 8.74 4.39 0.00 2.73 2.66 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 3 A 8.07 4.03 1.38 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 0.00 0.00 0.00 4 I 7.26 3.63 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.76 0.91 0.00 0.00 5 K 7.91 4.12 0.00 1.85 1.87 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.49 7.81 6 K 7.93 4.10 0.00 1.83 1.99 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.50 7.81 7 K 7.70 4.22 0.00 1.79 1.78 0.00 1.77 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.48 7.81 *9 Q 7.93 4.09 0.00 2.15 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.21 6.26 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 *11 L 7.83 4.27 0.00 1.77 1.74 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.93 4.00 0.00 1.94 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.49 7.81 13 L 8.19 3.95 0.00 1.88 1.66 0.92 1.33 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 14 D 8.10 4.34 0.00 2.89 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 15 K 8.00 3.90 0.00 1.84 1.96 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.48 7.81 16 E 8.26 3.95 0.00 2.15 1.99 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 2.48 2.50 0.00 17 N 8.54 4.34 0.00 2.86 2.86 0.00 0.00 6.93 8.62 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 18 A 8.00 4.02 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.17 3.93 0.00 1.84 1.72 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.24 4.36 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.98 3.90 0.00 2.06 1.98 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 22 A 8.16 3.96 1.36 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 23 E 8.41 3.88 0.00 1.99 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 2.32 2.41 0.00 24 Q 8.14 3.90 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 25 A 8.19 4.01 1.41 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 0.00 0.00 0.00 26 E 8.36 3.88 0.00 2.10 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 2.32 2.35 0.00 27 A 7.85 4.11 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 28 D 7.96 3.96 0.00 2.69 2.21 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 29 K 8.05 3.72 0.00 1.89 2.04 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.56 7.81 *215 D 7.88 4.65 0.00 2.96 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 F 8.37 4.32 0.00 3.04 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 0.00 217 Y 8.21 4.25 0.00 3.19 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 F 8.97 4.31 0.00 3.24 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 0.00 219 G 8.32 3.63 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 0.00 0.00 0.00 220 K 7.57 3.89 0.00 1.81 1.73 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.23 1.23 7.81 221 L 7.75 3.86 0.00 1.58 1.53 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 222 R 7.73 3.69 0.00 1.70 1.82 0.00 3.16 0.00 0.00 2.97 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.54 0.00 223 N 7.86 4.28 0.00 2.84 2.81 0.00 0.00 7.07 6.60 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 0.00 224 I 7.77 3.62 1.88 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 0.81 0.00 0.00 225 E 8.30 3.76 0.00 1.96 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 2.33 2.30 0.00 226 L 7.83 3.93 0.00 1.90 1.78 0.91 1.07 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 0.00 227 I 7.40 3.66 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.72 0.88 0.00 0.00 228 C 8.22 4.21 0.00 3.01 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 0.00 229 Q 8.42 4.00 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.58 0.00 230 E 8.00 4.03 0.00 2.15 2.02 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 2.34 2.49 0.00 231 N 7.73 4.88 0.00 2.78 2.77 0.00 0.00 6.56 7.81 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 0.00 232 E 8.03 4.04 0.00 1.98 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 2.30 2.33 0.00 233 G 8.03 3.71 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 0.00 0.00 0.00 234 E 8.04 3.95 0.00 2.07 2.01 0.00 0.00 0.00 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 2.38 0.00 235 N 7.81 4.03 0.00 2.76 2.78 0.00 0.00 7.12 8.61 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 0.00 236 D 7.75 4.48 0.00 2.76 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 0.00 237 P 0.00 4.20 0.00 2.28 2.28 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.01 0.00 238 V 8.04 3.54 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 0.99 0.00 0.00 0.91 0.00 0.00 239 L 7.99 3.97 0.00 1.81 1.65 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 240 Q 8.33 3.93 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 241 R 8.13 3.77 0.00 1.98 1.92 0.00 3.13 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 242 I 7.63 3.59 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.78 0.80 0.00 0.00 243 V 7.83 3.22 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 1.04 0.00 0.00 0.90 0.00 0.00 244 D 7.77 4.16 0.00 2.28 1.54 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 0.00 245 I 7.27 3.83 1.96 0.00 0.00 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 1.76 0.75 0.91 0.00 0.00 246 L 7.63 4.00 0.00 1.04 1.15 0.61 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 247 Y 7.35 4.85 0.00 2.97 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 248 A 7.38 4.46 1.58 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 0.00 0.00 249 T 8.35 4.83 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 1.27 0.00 0.00 250 D 8.66 4.61 0.00 2.70 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 0.00 251 E 7.69 4.14 0.00 1.96 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 2.34 2.26 0.00 252 G 8.18 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 0.00 0.00 0.00 253 F 8.20 4.95 0.00 3.05 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 254 V 8.45 3.99 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 0.83 0.00 0.00 1.04 0.00 0.00 255 I 8.42 3.27 1.89 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 1.43 0.39 0.92 0.00 0.00 256 P 0.00 4.20 0.00 2.09 2.11 0.00 3.88 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 257 D 8.89 4.72 0.00 2.83 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 * Residues marked with a * may have inaccurate shift predictions.