NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 210 K 4.2785 8.2729 120.1375 55.8480 33.7735 176.9342 211 R 3.8088 8.5719 122.9900 61.0640 28.6846 178.4685 212 T 4.1233 7.9832 112.3158 66.1651 68.1226 176.1983 213 E 3.8428 8.0304 118.2752 60.8436 29.9163 179.9716 214 L 4.4786 7.7818 120.8225 58.2157 42.0816 179.2861 215 D 4.4149 7.6693 113.1509 55.4732 40.8512 177.1678 *217 Y 4.9753 7.7526 116.0874 58.0495 40.2023 176.8515 218 D 4.5144 8.6047 119.7861 57.9603 40.8683 179.0809 219 D 4.3796 8.4224 118.8626 57.7330 40.9159 178.7664 220 I 3.6323 7.6909 119.4521 64.8280 37.2331 178.0013 221 F 4.0014 8.7154 118.1113 60.4670 38.5184 177.6693 222 A 4.0422 7.8393 119.4748 55.1558 18.4011 179.5741 223 V 3.7113 7.9848 116.8287 65.9125 31.5227 178.1527 224 L 4.1470 8.0629 118.8144 58.1623 41.3973 179.2946 225 E 3.6179 8.7091 117.2244 59.1918 29.5809 178.7765 226 R 4.0756 7.8424 116.7051 55.8972 30.2253 175.5246 227 F 4.8575 8.5309 118.5682 55.9612 41.3840 174.4982 228 P 4.4049 0.0000 0.0000 65.1487 31.5700 177.3221 229 N 4.5314 8.1517 113.3802 54.2295 37.6707 174.9287 230 V 4.1126 7.1279 118.4604 62.2555 32.7435 174.5438 231 H 4.7742 8.4938 121.8640 54.9136 33.4180 172.5393 232 N 4.3211 8.7056 117.2127 54.4076 36.7927 172.3719 233 P 5.1697 0.0000 0.0000 62.2820 32.7336 175.8199 234 H 4.5536 8.5416 115.6203 55.4972 30.5726 172.6152 235 R 3.7160 8.6078 116.5010 57.1240 28.1964 175.9626 236 V 4.0905 7.8830 115.7360 62.1985 32.1332 174.8301 237 R 5.0241 8.8466 125.8014 54.5240 34.0068 174.6779 238 I 5.1063 8.4711 121.1150 59.8294 40.6721 175.2203 239 R 4.6877 9.0596 122.2972 54.8335 34.6804 174.4688 240 R 5.0555 9.0842 126.1250 55.2405 30.1521 174.0580 241 V 4.4192 8.6074 120.0004 59.4230 34.9230 175.9557 242 G 3.8379 8.9154 114.8246 45.5653 0.0000 176.4668 243 T 3.7590 8.4447 123.4871 60.8024 68.2967 171.1094 *245 Y 4.6624 8.0843 125.9428 57.8845 40.3670 173.8923 246 F 5.3342 9.5002 119.4026 55.7878 41.9167 174.8178 247 I 5.0641 8.6012 117.2912 59.3009 40.4073 174.2512 248 E 5.5168 8.6783 123.7250 53.6934 34.0588 173.7180 *250 D 5.0197 8.5115 122.6503 54.2153 42.5840 174.6418 251 I 4.9263 8.6887 116.5539 59.0669 41.1907 174.0640 252 E 5.3586 8.9619 122.1524 55.1095 32.6172 175.6403 253 V 4.4525 9.1123 115.5851 59.1037 37.1422 173.4364 254 D 4.3436 9.2922 121.1341 55.4576 40.7276 177.1353 255 G 4.1193 8.4755 116.0148 48.5682 0.0000 174.2050 256 K 4.0623 7.7188 124.3629 55.7450 30.2929 176.1192 *258 S 4.2126 8.1014 117.5776 57.6182 65.1860 174.2734 259 V 3.5490 8.4340 124.9565 66.4779 31.1652 178.1828 260 K 4.1692 8.0360 118.3054 59.3080 32.0367 178.4617 261 D 4.2446 8.3373 119.4582 57.3663 41.0385 178.2127 262 A 4.0507 8.3718 121.6278 55.8003 18.1602 178.8134 263 H 4.0689 8.8604 119.2701 60.1133 30.0789 177.5938 264 E 3.8876 8.2760 119.8336 61.2880 29.4590 181.2166 265 L 4.0303 8.3134 121.3633 58.4245 42.1722 179.4138 266 T 3.7299 7.6594 109.1649 64.3930 68.4808 176.6181 267 V 3.5199 7.5393 123.5102 66.4982 31.5027 178.8089 268 K 4.0705 7.8258 123.0221 59.6610 31.2792 180.8315 269 I 3.8657 7.1542 119.9784 64.2502 37.0823 178.0637 270 R 4.0498 7.9109 120.4304 60.0438 30.1456 178.6015 271 K 4.1108 8.2965 123.7261 60.1222 31.5106 181.2943 272 E 4.2636 8.6937 116.7436 57.1854 28.8545 178.9029 *274 L 4.1793 7.9736 123.5361 55.5291 43.6812 179.8860 275 K 3.9069 8.3488 118.9169 57.6936 31.7702 179.8891 276 R 4.1138 8.1917 119.2571 58.2818 30.0433 177.1377 277 R 4.6889 7.5061 113.4431 54.0242 33.1653 176.1429 278 D 4.4819 8.7656 122.1262 56.0548 39.8181 177.3697 279 D 4.3186 7.9805 118.4874 56.1939 41.1291 176.2188 280 I 4.1270 7.1069 119.7380 60.8486 37.6684 174.7560 281 E 4.1325 8.4440 127.7918 57.7795 29.7630 175.3502 282 D 4.9736 7.2937 117.3573 52.4600 45.6579 173.3771 283 V 5.1149 8.3824 121.7519 61.2878 34.6827 174.4571 284 T 4.6730 8.9478 117.7914 59.8802 71.5170 172.8796 285 I 4.6912 8.2068 125.4091 59.7657 40.2828 174.3495 286 H 4.9269 8.6095 123.8894 54.3132 31.0056 174.0718 287 V 4.9143 8.3353 121.3352 61.3601 34.0049 174.2910 288 E 4.8740 8.9764 124.8987 53.8309 34.7796 172.9102 289 P 5.1083 0.0000 0.0000 61.9207 32.3896 175.9230 290 L 4.4143 8.0614 123.8576 56.0783 41.7619 177.7804 291 G 3.8513 8.8059 112.9620 44.8289 0.0000 173.8732 292 N 4.3566 8.0382 121.3636 52.4719 39.3202 179.5972 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 210 K 8.27 4.28 0.00 1.83 1.80 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.45 7.81 211 R 8.57 3.81 0.00 1.89 1.98 0.00 3.24 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.31 0.00 212 T 7.98 4.12 4.24 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 1.17 0.00 0.00 213 E 8.03 3.84 0.00 2.11 1.86 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 2.23 1.94 0.00 214 L 7.78 4.48 0.00 1.82 1.94 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 215 D 7.67 4.41 0.00 2.97 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 *217 Y 7.75 4.98 0.00 3.34 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.60 4.51 0.00 3.03 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 0.00 219 D 8.42 4.38 0.00 2.75 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 0.00 220 I 7.69 3.63 2.20 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.61 0.74 0.00 0.00 221 F 8.72 4.00 0.00 3.12 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 A 7.84 4.04 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 223 V 7.98 3.71 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 1.24 0.00 0.00 1.01 0.00 0.00 224 L 8.06 4.15 0.00 1.92 1.74 0.89 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 225 E 8.71 3.62 0.00 2.09 2.08 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 2.45 2.59 0.00 226 R 7.84 4.08 0.00 1.65 1.90 0.00 2.90 0.00 0.00 3.03 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.39 0.00 227 F 8.53 4.86 0.00 3.07 3.06 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 0.00 0.00 0.00 0.00 228 P 0.00 4.40 0.00 2.07 2.11 0.00 3.79 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.07 0.00 229 N 8.15 4.53 0.00 2.84 2.99 0.00 0.00 5.91 7.68 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 0.00 230 V 7.13 4.11 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 0.75 0.00 0.00 0.85 0.00 0.00 231 H 8.49 4.77 0.00 3.34 3.13 0.00 5.77 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 N 8.71 4.32 0.00 2.78 3.07 0.00 0.00 7.06 7.69 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 0.00 233 P 0.00 5.17 0.00 1.99 1.82 0.00 3.95 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 234 H 8.54 4.55 0.00 3.25 3.27 0.00 5.68 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 R 8.61 3.72 0.00 1.95 2.01 0.00 3.26 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 236 V 7.88 4.09 2.15 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 0.99 0.00 0.00 0.85 0.00 0.00 237 R 8.85 5.02 0.00 1.81 1.83 0.00 3.33 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.76 0.00 238 I 8.47 5.11 1.75 0.00 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.79 0.00 0.00 239 R 9.06 4.69 0.00 2.08 1.90 0.00 3.19 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.43 0.00 240 R 9.08 5.06 0.00 2.05 1.97 0.00 3.54 0.00 0.00 3.62 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 241 V 8.61 4.42 2.08 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 0.81 0.00 0.00 0.93 0.00 0.00 242 G 8.92 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 0.00 243 T 8.44 3.76 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 1.11 0.00 0.00 *245 Y 8.08 4.66 0.00 2.99 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 0.00 246 F 9.50 5.33 0.00 2.90 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 247 I 8.60 5.06 1.90 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 1.27 0.80 0.92 0.00 0.00 248 E 8.68 5.52 0.00 2.08 1.81 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 2.27 2.15 0.00 *250 D 8.51 5.02 0.00 2.66 2.35 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 0.00 251 I 8.69 4.93 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.94 0.83 0.00 0.00 252 E 8.96 5.36 0.00 2.10 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 0.00 2.49 2.31 0.00 253 V 9.11 4.45 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.94 0.00 0.00 254 D 9.29 4.34 0.00 2.65 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 0.00 255 G 8.48 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 256 K 7.72 4.06 0.00 2.00 1.82 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.43 7.81 *258 S 8.10 4.21 0.00 4.07 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 0.00 259 V 8.43 3.55 2.08 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 0.95 0.00 0.00 0.93 0.00 0.00 260 K 8.04 4.17 0.00 1.86 1.80 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.55 7.81 261 D 8.34 4.24 0.00 2.94 2.69 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 0.00 262 A 8.37 4.05 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 0.00 263 H 8.86 4.07 0.00 3.20 3.50 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 264 E 8.28 3.89 0.00 2.03 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 2.26 2.23 0.00 265 L 8.31 4.03 0.00 1.63 1.82 0.66 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 266 T 7.66 3.73 4.13 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 1.11 0.00 0.00 267 V 7.54 3.52 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 1.01 0.00 0.00 0.74 0.00 0.00 268 K 7.83 4.07 0.00 1.84 1.80 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.35 7.81 269 I 7.15 3.87 1.81 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 0.44 0.78 0.00 0.00 270 R 7.91 4.05 0.00 1.89 2.06 0.00 3.28 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 271 K 8.30 4.11 0.00 1.77 1.83 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.39 7.81 272 E 8.69 4.26 0.00 2.41 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 2.70 2.62 0.00 *274 L 7.97 4.18 0.00 2.06 1.75 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 275 K 8.35 3.91 0.00 1.75 1.73 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.26 7.81 276 R 8.19 4.11 0.00 1.76 2.02 0.00 3.18 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 277 R 7.51 4.69 0.00 1.93 1.99 0.00 3.26 0.00 0.00 3.30 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 278 D 8.77 4.48 0.00 2.75 2.78 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 0.00 0.00 0.00 279 D 7.98 4.32 0.00 2.79 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 0.00 280 I 7.11 4.13 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.64 0.92 0.00 0.00 281 E 8.44 4.13 0.00 1.34 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 2.12 2.20 0.00 282 D 7.29 4.97 0.00 2.87 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 0.00 283 V 8.38 5.11 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 0.87 0.00 0.00 0.92 0.00 0.00 284 T 8.95 4.67 4.22 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 1.31 0.00 0.00 285 I 8.21 4.69 1.77 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.59 0.81 0.00 0.00 286 H 8.61 4.93 0.00 3.42 3.20 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 287 V 8.34 4.91 2.08 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 0.81 0.00 0.00 0.90 0.00 0.00 288 E 8.98 4.87 0.00 1.93 1.77 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 2.24 2.44 0.00 289 P 0.00 5.11 0.00 2.07 1.98 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.96 0.00 290 L 8.06 4.41 0.00 1.49 1.63 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 291 G 8.81 3.85 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 0.00 0.00 0.00 292 N 8.04 4.36 0.00 2.79 2.91 0.00 0.00 6.83 7.38 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 * Residues marked with a * may have inaccurate shift predictions.