NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 247 P 4.2120 0.0000 0.0000 62.1295 32.7708 175.4302 248 E 4.0687 8.0018 120.3124 53.9360 32.1049 174.4428 249 F 5.1377 8.9274 121.2848 55.9845 44.0953 174.4090 250 D 4.9117 8.4243 120.9087 51.4845 41.2292 174.9244 251 P 4.3363 0.0000 0.0000 65.6022 31.2883 177.8291 252 I 3.8009 7.9246 116.6998 63.9762 37.7774 177.6684 253 L 4.1724 8.2623 120.2089 56.9085 41.2349 178.2104 254 L 4.5983 7.8357 117.2797 55.1021 41.5611 177.1848 255 R 4.2325 7.5107 120.3507 55.5219 30.9971 174.7051 256 P 4.7487 0.0000 0.0000 62.4722 32.2507 178.0636 257 V 3.7551 8.1703 113.6288 64.3264 31.2815 178.7600 258 D 4.4340 8.0362 118.4094 57.0567 40.4668 177.7122 259 D 4.5595 7.7797 117.5891 56.1981 40.8564 177.8496 260 L 4.1029 7.7851 118.9951 54.6051 42.7533 175.9741 261 E 3.6263 7.8513 118.2907 57.0821 27.9240 173.0031 262 L 4.4755 7.4841 118.8033 53.8023 43.6269 177.8902 263 T 4.0414 8.9641 110.7316 61.6965 70.3541 175.1737 264 V 3.5338 8.4323 122.2205 66.5222 31.3492 178.3981 265 R 3.8540 7.9099 117.4803 59.5779 30.0105 178.5084 266 S 4.0681 8.0612 114.6721 61.4482 62.6095 176.4469 267 A 3.9717 7.8866 122.2858 55.3826 18.2223 179.1624 268 N 4.4196 8.1427 113.7724 56.5837 38.6674 177.1285 269 C 4.3299 8.0351 117.2497 62.6585 28.5165 177.2126 270 L 4.0569 7.8830 118.2081 55.0885 40.9170 178.8044 *272 A 4.2744 7.9942 122.8099 51.9083 20.3187 178.0892 273 E 4.3632 8.0885 113.7345 55.9367 29.5267 176.2447 274 A 3.6675 7.9907 119.2632 52.9866 15.7607 179.0551 275 I 4.2565 7.4626 120.0976 61.7623 36.4110 174.8823 276 H 4.6261 9.0556 122.1654 55.7690 30.5450 174.5363 277 Y 5.2525 7.7734 115.7841 55.2180 43.0449 175.9946 278 I 3.8621 8.9655 123.2305 64.7408 36.9430 179.1984 279 G 2.6550 8.1969 105.7366 47.3417 0.0000 175.2159 280 D 4.2946 7.8937 120.6694 56.9297 40.8665 178.5129 281 L 3.9694 7.6530 120.1737 58.3166 42.2121 179.3530 282 V 3.8214 7.5300 112.8601 63.0460 31.1698 177.8898 283 Q 4.2265 7.1377 117.0622 55.8155 29.2442 176.4011 284 R 4.2482 7.4082 119.8637 55.7486 31.3246 175.7886 285 T 4.6863 7.9551 110.7012 60.4724 72.0165 175.5261 286 E 3.8950 8.5495 122.6381 59.3592 29.4660 179.1936 287 V 3.5736 7.6898 116.8733 66.3462 31.7013 177.5141 288 E 4.1293 7.7143 116.7234 59.2011 29.3441 179.0266 289 L 4.1692 7.8617 118.5192 57.3114 42.1599 180.0114 290 L 4.2184 7.7667 120.1197 53.6257 41.6176 177.1964 *292 T 4.1646 7.2834 107.6001 60.7112 70.1450 173.0402 293 P 4.3040 0.0000 0.0000 65.2286 31.4463 177.0647 294 N 4.7779 8.0323 112.1784 52.7901 39.7173 174.2428 295 L 4.6508 7.4612 118.4375 53.0070 43.6749 175.4236 296 G 3.8192 8.6410 111.0190 47.2349 0.0000 175.3122 *299 S 4.3879 7.9058 115.9083 57.9967 64.8331 176.1907 300 L 4.0140 7.9335 118.9262 58.1518 41.3312 179.4473 301 T 4.0009 7.7737 114.0684 66.4844 68.6846 175.8438 302 E 4.1301 8.0799 120.6308 59.2814 29.7416 179.7148 303 I 3.9442 7.9343 117.0586 62.2908 36.8919 177.5479 *305 D 4.5716 8.0889 122.3608 54.4314 42.6516 178.1795 306 V 3.6271 7.9815 118.3661 65.5548 31.2832 178.1799 307 L 4.0462 7.9644 118.8710 57.5512 41.6151 179.0758 308 A 4.2227 8.2346 121.7554 54.4493 18.1074 179.4536 309 S 4.2733 7.7754 111.7646 60.4687 63.0548 175.3025 310 R 4.4089 6.9862 120.5852 55.6910 30.3692 176.4917 311 G 3.8497 8.1891 105.5429 45.7787 0.0000 173.4039 312 L 4.6832 7.8640 120.3753 53.0342 44.5620 174.8684 313 S 4.4142 7.7711 112.5553 57.8054 65.3067 173.6491 314 L 4.3303 8.2478 120.6326 54.8233 42.2716 176.6885 315 G 3.8939 8.6700 106.7081 46.8739 0.0000 173.6657 316 M 4.2333 8.5269 120.3966 54.1502 32.7343 175.6410 317 R 4.3778 8.4121 123.9462 55.2045 31.2788 175.3170 318 L 4.8594 8.2547 123.9905 52.9556 44.7057 175.2551 319 E 4.6511 8.4716 119.1204 55.8834 32.3033 176.1232 320 N 4.1587 8.6929 118.7458 54.1865 35.8382 173.8581 321 W 4.6672 7.8348 126.3147 54.9855 33.0002 173.5264 322 P 2.9700 0.0000 0.0000 59.8693 32.1895 173.6952 323 P 3.9956 0.0000 0.0000 62.0189 31.6288 176.5439 324 A 4.0904 7.8881 123.0185 52.2674 18.9516 177.1050 325 S 4.5915 7.8196 113.2595 56.3573 66.2200 173.7815 326 I 3.8460 8.1105 122.2916 60.7156 37.3573 176.2645 327 A 4.1287 8.3194 128.5836 51.8448 18.9364 176.7554 328 D 4.6039 8.3397 120.8168 54.2139 41.8434 176.6577 329 E 4.2173 8.4810 118.8239 56.7287 29.6698 176.5093 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 247 P 0.00 4.21 0.00 1.73 1.94 0.00 3.55 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 248 E 8.00 4.07 0.00 1.82 1.67 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 2.04 2.24 0.00 249 F 8.93 5.14 0.00 3.02 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 0.00 250 D 8.42 4.91 0.00 2.76 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 0.00 251 P 0.00 4.34 0.00 2.20 2.17 0.00 3.67 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 252 I 7.92 3.80 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.39 0.96 0.00 0.00 253 L 8.26 4.17 0.00 2.08 2.08 1.07 0.32 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 0.00 254 L 7.84 4.60 0.00 1.70 1.75 0.96 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 255 R 7.51 4.23 0.00 2.04 2.15 0.00 3.18 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 256 P 0.00 4.75 0.00 2.16 1.84 0.00 3.90 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.20 0.00 257 V 8.17 3.76 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 0.92 0.00 0.00 0.91 0.00 0.00 258 D 8.04 4.43 0.00 2.66 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 0.00 259 D 7.78 4.56 0.00 2.80 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 0.00 260 L 7.79 4.10 0.00 1.75 1.72 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 261 E 7.85 3.63 0.00 2.09 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 2.22 2.30 0.00 262 L 7.48 4.48 0.00 1.67 1.60 0.91 0.99 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 0.00 263 T 8.96 4.04 4.23 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 1.32 0.00 0.00 264 V 8.43 3.53 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 1.09 0.00 0.00 0.93 0.00 0.00 265 R 7.91 3.85 0.00 1.91 1.90 0.00 3.23 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 266 S 8.06 4.07 0.00 4.04 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 0.00 267 A 7.89 3.97 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 0.00 268 N 8.14 4.42 0.00 2.68 2.88 0.00 0.00 7.13 8.33 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 0.00 269 C 8.04 4.33 0.00 3.08 2.98 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 0.00 0.00 0.00 270 L 7.88 4.06 0.00 1.81 1.63 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 *272 A 7.99 4.27 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 0.00 273 E 8.09 4.36 0.00 2.08 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 2.45 2.36 0.00 274 A 7.99 3.67 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 0.00 0.00 275 I 7.46 4.26 1.90 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.90 0.00 0.00 276 H 9.06 4.63 0.00 3.03 2.85 0.00 5.56 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 0.00 277 Y 7.77 5.25 0.00 3.27 3.14 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 0.00 0.00 0.00 278 I 8.97 3.86 2.12 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.93 0.92 0.00 0.00 279 G 8.20 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.89 4.29 0.00 2.98 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 0.00 281 L 7.65 3.97 0.00 1.74 1.76 0.89 1.06 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 0.00 282 V 7.53 3.82 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 0.95 0.00 0.00 0.81 0.00 0.00 283 Q 7.14 4.23 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.91 0.00 0.00 0.00 0.00 0.00 2.33 2.05 0.00 284 R 7.41 4.25 0.00 1.88 1.81 0.00 3.25 0.00 0.00 3.18 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.68 0.00 285 T 7.96 4.69 4.23 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 1.19 0.00 0.00 286 E 8.55 3.89 0.00 2.04 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 2.37 2.36 0.00 287 V 7.69 3.57 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 0.92 0.00 0.00 0.92 0.00 0.00 288 E 7.71 4.13 0.00 1.91 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 2.33 2.48 0.00 289 L 7.86 4.17 0.00 1.68 1.71 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 290 L 7.77 4.22 0.00 1.82 1.68 0.95 0.65 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 *292 T 7.28 4.16 4.23 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 1.28 0.00 0.00 293 P 0.00 4.30 0.00 2.06 2.16 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 294 N 8.03 4.78 0.00 2.68 2.83 0.00 0.00 6.79 7.85 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 0.00 295 L 7.46 4.65 0.00 1.86 1.57 0.91 0.78 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 0.00 296 G 8.64 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 0.00 0.00 0.00 *299 S 7.91 4.39 0.00 3.91 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 0.00 300 L 7.93 4.01 0.00 1.76 1.73 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 301 T 7.77 4.00 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 1.27 0.00 0.00 302 E 8.08 4.13 0.00 2.02 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 2.37 2.40 0.00 303 I 7.93 3.94 1.98 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 1.51 0.66 0.89 0.00 0.00 *305 D 8.09 4.57 0.00 2.86 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 0.00 306 V 7.98 3.63 2.18 0.00 0.00 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 1.01 0.00 0.00 307 L 7.96 4.05 0.00 1.74 1.71 0.86 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 308 A 8.23 4.22 1.31 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 0.00 0.00 0.00 309 S 7.78 4.27 0.00 4.01 4.17 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 0.00 310 R 6.99 4.41 0.00 1.83 1.96 0.00 3.22 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 311 G 8.19 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 0.00 312 L 7.86 4.68 0.00 1.78 1.57 0.92 0.76 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 0.00 313 S 7.77 4.41 0.00 3.94 3.93 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 0.00 0.00 0.00 0.00 314 L 8.25 4.33 0.00 1.63 1.83 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 315 G 8.67 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 0.00 316 M 8.53 4.23 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.44 0.00 317 R 8.41 4.38 0.00 1.75 1.81 0.00 3.19 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 318 L 8.25 4.86 0.00 1.65 1.60 0.54 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 319 E 8.47 4.65 0.00 2.01 1.90 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 2.25 2.33 0.00 320 N 8.69 4.16 0.00 2.88 2.84 0.00 0.00 6.85 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 0.00 321 W 7.83 4.67 0.00 3.36 2.96 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 0.00 322 P 0.00 2.97 0.00 1.53 1.16 0.00 3.33 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.88 0.00 323 P 0.00 4.00 0.00 1.63 1.73 0.00 2.39 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.54 0.00 324 A 7.89 4.09 1.08 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 0.00 325 S 7.82 4.59 0.00 3.84 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 326 I 8.11 3.85 1.84 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 1.31 0.49 0.88 0.00 0.00 327 A 8.32 4.13 1.20 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 0.00 0.00 0.00 328 D 8.34 4.60 0.00 2.66 2.61 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 0.00 0.00 0.00 329 E 8.48 4.22 0.00 1.94 1.84 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 2.24 2.27 0.00 * Residues marked with a * may have inaccurate shift predictions.