NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 326 S 4.5202 8.3344 115.4183 58.0750 64.9679 173.3574 327 H 4.4856 8.0253 119.4142 57.7243 32.8562 172.0800 328 M 4.2136 8.8512 118.5498 56.5881 33.2276 175.3692 329 K 3.9056 8.6614 119.0914 57.9844 29.7935 176.6737 330 S 5.0022 7.7488 111.4855 58.4042 64.2659 173.3725 331 R 5.0209 7.8616 121.5266 54.4532 32.5503 174.1235 332 L 5.0282 9.0909 128.9000 53.6583 43.9996 175.0391 333 F 4.8035 9.3552 129.9649 57.9524 41.1117 174.1134 334 I 4.6503 8.0980 126.1952 59.5118 40.4625 174.8882 335 G 4.1896 8.6937 114.4453 43.9217 0.0000 171.6636 336 N 4.4883 8.7774 114.6226 54.3537 37.2737 174.2613 337 L 4.2444 7.7528 114.2810 53.0776 42.6375 175.4735 338 P 4.4360 0.0000 0.0000 62.7513 31.8248 177.1051 339 L 4.1196 8.4029 121.0992 57.3665 41.9170 178.4414 340 K 4.1692 7.7438 116.3825 56.0679 33.2587 176.3914 341 N 4.1932 8.5981 118.0931 53.9113 38.9305 174.5038 342 V 4.1582 7.9179 122.2243 60.9784 33.3546 175.7157 343 S 4.3145 8.5381 121.4076 58.0699 63.8756 175.2642 344 K 4.1004 8.6526 128.0997 59.2620 31.8001 179.1642 345 E 3.9913 8.1545 119.6707 59.2230 29.5314 178.5153 346 D 4.4252 8.1956 118.5440 57.4242 41.0391 178.5327 347 L 4.4490 8.3508 119.5361 57.8929 41.6042 179.3153 348 F 4.1285 8.7176 120.8130 61.4615 39.1312 177.3287 349 R 4.0181 8.3755 116.7905 59.3381 29.9254 178.8836 350 I 3.6272 7.6057 118.4630 64.0320 37.4256 177.7687 351 F 5.1086 8.1778 117.3415 58.5430 39.8502 178.2843 352 S 4.2008 8.1929 114.5787 60.6758 62.2452 174.6380 353 P 4.1538 0.0000 0.0000 64.9549 31.0414 177.2947 354 Y 4.4411 7.7918 114.6358 57.4021 38.1810 175.3845 355 G 4.3376 6.8992 107.1871 44.7658 0.0000 171.0593 356 H 4.4819 8.2559 119.6298 56.2380 30.8994 173.7856 357 I 4.5099 8.2538 126.5731 60.4187 37.7886 175.3243 358 M 4.5034 9.1926 126.5145 55.9835 33.6810 176.1422 359 Q 4.6195 7.7020 118.6036 54.7105 33.0295 173.1455 360 I 4.7093 8.1858 125.2511 59.4791 40.4696 174.1259 361 N 4.6006 8.3224 125.8520 51.4832 41.5804 172.8117 362 I 4.3946 8.1375 126.5444 59.5477 39.4720 175.2577 363 K 4.4177 8.0151 127.4673 54.1997 34.8188 175.6497 364 N 4.3337 8.7135 115.7624 56.3560 38.3062 176.0573 365 A 4.7073 7.5963 116.1491 51.3971 20.4110 174.5225 366 F 4.7563 7.2754 110.3449 56.5258 41.3637 172.5575 367 G 4.2415 8.9586 106.2617 45.1395 0.0000 171.2488 368 F 5.5904 8.8120 113.5693 55.3306 42.0738 173.6664 369 I 4.7564 8.7730 120.8145 59.5873 40.1969 174.3629 370 Q 4.6787 9.0424 129.6047 55.3224 30.1027 175.3953 371 F 5.4429 9.2502 126.3705 55.7114 41.1547 175.5499 372 D 4.8404 8.8723 117.1425 53.3301 39.2676 175.6098 373 N 4.9821 7.5488 116.4320 50.3000 40.0608 173.5029 374 P 4.7751 0.0000 0.0000 65.0360 31.5206 178.3773 375 Q 3.9098 8.1162 119.3255 59.1748 28.8516 178.0751 376 S 3.9524 8.2799 116.1765 61.4321 62.7247 176.9280 377 V 3.4315 6.9046 117.3737 66.0569 31.2632 178.1703 378 R 3.8857 7.8049 117.7552 59.4912 29.6756 178.8585 379 D 4.2403 8.0609 117.4674 57.1661 40.8884 178.2953 380 A 2.9175 7.5081 120.3496 54.7920 18.3373 179.4816 381 I 3.8420 7.7394 118.2554 64.3898 37.0152 178.0737 382 E 4.0271 7.8291 115.4695 57.9647 29.7488 177.1049 *384 E 4.3357 7.9914 116.4171 56.3309 31.4535 177.7237 385 S 4.2689 7.8055 113.6551 60.7751 62.9459 174.9856 386 Q 4.5474 7.9663 116.3968 55.4748 29.1194 175.2285 387 E 4.3126 7.7792 118.5125 55.6051 30.5860 175.8213 388 M 4.6962 8.3817 121.6510 54.6400 32.1260 175.6463 389 N 4.7136 9.0807 122.3655 52.3146 41.2717 175.1671 390 F 3.9074 9.1017 120.3123 58.5079 36.5557 175.7303 391 G 4.0034 8.5710 105.8212 46.0062 0.0000 174.1140 392 K 4.6045 8.0693 117.7777 54.0908 35.8149 176.2821 393 K 4.9431 8.4344 121.2541 54.5807 31.4413 176.8300 394 L 4.4079 8.2945 124.2008 54.6752 42.8687 177.2503 395 I 4.2205 8.5710 123.9168 60.9520 38.0922 174.8452 396 L 5.3924 8.5213 127.0677 53.0187 44.3249 175.6099 397 E 4.7639 8.9281 122.4596 54.7646 33.9049 174.0108 398 V 4.0895 8.2835 124.3282 62.8331 31.9505 175.6849 399 S 4.5285 9.1001 124.1833 58.1824 62.9464 174.0279 400 S 4.5345 8.5295 118.3208 58.1169 63.6898 174.1017 401 S 4.3756 7.7606 116.5533 58.1323 62.7638 173.2177 402 N 4.8521 8.4870 121.7700 53.0125 39.2357 175.3367 403 A 4.0080 7.8327 124.5021 54.7361 18.9777 179.1107 *404 R 4.1483 7.8739 118.4851 56.4029 30.1755 180.7442 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 326 S 8.33 4.52 0.00 4.02 4.06 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 0.00 327 H 8.03 4.49 0.00 3.22 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 328 M 8.85 4.21 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.53 0.00 329 K 8.66 3.91 0.00 1.99 1.89 0.00 1.64 0.00 0.00 1.81 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.44 7.81 330 S 7.75 5.00 0.00 3.93 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 0.00 331 R 7.86 5.02 0.00 2.01 1.73 0.00 2.93 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.71 0.00 332 L 9.09 5.03 0.00 1.97 1.70 1.02 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 333 F 9.36 4.80 0.00 3.20 3.07 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 0.00 0.00 0.00 0.00 334 I 8.10 4.65 1.64 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 0.93 0.29 0.83 0.00 0.00 335 G 8.69 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 0.00 0.00 0.00 0.00 336 N 8.78 4.49 0.00 2.87 2.91 0.00 0.00 6.93 7.78 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 0.00 337 L 7.75 4.24 0.00 1.56 1.40 0.73 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 338 P 0.00 4.44 0.00 2.16 2.00 0.00 3.44 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 2.35 0.00 339 L 8.40 4.12 0.00 1.63 1.72 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 340 K 7.74 4.17 0.00 1.85 1.81 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.46 7.81 341 N 8.60 4.19 0.00 2.68 2.77 0.00 0.00 6.79 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 0.00 342 V 7.92 4.16 1.80 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 0.10 0.00 0.00 0.56 0.00 0.00 343 S 8.54 4.31 0.00 3.98 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 344 K 8.65 4.10 0.00 1.82 1.84 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.43 7.81 345 E 8.15 3.99 0.00 2.06 1.97 0.00 0.00 0.00 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 2.33 0.00 346 D 8.20 4.43 0.00 3.28 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 0.00 347 L 8.35 4.45 0.00 2.04 1.94 0.82 1.17 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 0.00 348 F 8.72 4.13 0.00 3.29 3.27 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 0.00 349 R 8.38 4.02 0.00 2.01 1.98 0.00 3.25 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.02 0.00 350 I 7.61 3.63 1.71 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 1.24 0.39 -0.12 0.00 0.00 351 F 8.18 5.11 0.00 3.36 3.38 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 0.00 352 S 8.19 4.20 0.00 3.38 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 0.00 353 P 0.00 4.15 0.00 1.28 1.83 0.00 3.47 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 354 Y 7.79 4.44 0.00 3.14 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 0.00 355 G 6.90 4.34 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 0.00 356 H 8.26 4.48 0.00 3.30 3.45 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 357 I 8.25 4.51 1.90 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.76 0.83 0.00 0.00 358 M 9.19 4.50 0.00 1.89 2.14 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.60 0.00 359 Q 7.70 4.62 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.85 0.00 0.00 0.00 0.00 0.00 2.18 2.37 0.00 360 I 8.19 4.71 1.80 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.76 0.80 0.00 0.00 361 N 8.32 4.60 0.00 1.70 1.42 0.00 0.00 6.58 7.29 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 0.00 362 I 8.14 4.39 1.68 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.55 0.70 0.00 0.00 363 K 8.02 4.42 0.00 0.79 1.25 0.00 1.66 0.00 0.00 1.55 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.15 1.02 7.81 364 N 8.71 4.33 0.00 2.71 2.88 0.00 0.00 6.53 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 0.00 365 A 7.60 4.71 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 0.00 366 F 7.28 4.76 0.00 3.03 3.18 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 0.00 0.00 0.00 0.00 367 G 8.96 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 0.00 0.00 0.00 0.00 368 F 8.81 5.59 0.00 3.18 3.21 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 0.00 369 I 8.77 4.76 1.52 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.38 0.11 0.00 0.00 370 Q 9.04 4.68 0.00 2.38 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 371 F 9.25 5.44 0.00 3.13 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 0.00 372 D 8.87 4.84 0.00 2.83 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 0.00 373 N 7.55 4.98 0.00 2.93 2.93 0.00 0.00 5.97 7.76 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 0.00 374 P 0.00 4.78 0.00 2.28 2.56 0.00 3.87 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.88 0.00 375 Q 8.12 3.91 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.41 2.64 0.00 376 S 8.28 3.95 0.00 3.45 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 0.00 377 V 6.90 3.43 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 1.11 0.00 0.00 1.12 0.00 0.00 378 R 7.80 3.89 0.00 2.01 1.94 0.00 3.16 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 379 D 8.06 4.24 0.00 2.74 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 380 A 7.51 2.92 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 381 I 7.74 3.84 1.98 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 1.44 1.24 0.92 0.00 0.00 382 E 7.83 4.03 0.00 1.99 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 0.00 2.32 2.35 0.00 *384 E 7.99 4.34 0.00 2.32 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 0.00 2.20 2.07 0.00 385 S 7.81 4.27 0.00 3.96 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 0.00 386 Q 7.97 4.55 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 387 E 7.78 4.31 0.00 2.13 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 388 M 8.38 4.70 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.50 0.00 389 N 9.08 4.71 0.00 2.77 2.60 0.00 0.00 6.64 8.14 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 0.00 390 F 9.10 3.91 0.00 3.26 3.15 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 0.00 391 G 8.57 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 392 K 8.07 4.60 0.00 2.00 1.77 0.00 1.90 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.70 7.81 393 K 8.43 4.94 0.00 1.78 1.83 0.00 1.82 0.00 0.00 0.70 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.44 7.81 394 L 8.29 4.41 0.00 1.68 1.70 1.30 1.11 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 0.00 395 I 8.57 4.22 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.61 1.13 0.00 0.00 396 L 8.52 5.39 0.00 1.55 1.61 1.10 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 397 E 8.93 4.76 0.00 2.20 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 2.13 2.28 0.00 398 V 8.28 4.09 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 0.80 0.00 0.00 0.94 0.00 0.00 399 S 9.10 4.53 0.00 4.00 3.81 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 0.00 0.00 0.00 400 S 8.53 4.53 0.00 3.96 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 0.00 401 S 7.76 4.38 0.00 3.78 3.62 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 0.00 0.00 0.00 0.00 402 N 8.49 4.85 0.00 2.66 2.74 0.00 0.00 6.97 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 0.00 403 A 7.83 4.01 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 *404 R 7.87 4.15 0.00 1.59 1.76 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.