NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.2188 8.3545 119.0651 56.3059 30.2067 174.9962 3 Q 4.3659 8.2047 124.2072 51.9813 30.7192 170.5619 4 F 5.1027 8.4244 113.4631 59.4918 40.7728 175.8991 5 G 4.1602 9.5294 114.5781 46.6189 0.0000 173.8110 *6 H 5.0352 7.8436 115.8128 54.2690 29.3284 179.5705 7 L 4.5252 8.3301 124.1332 57.5967 43.0976 177.8751 *8 T 4.4216 7.3631 106.3631 59.8790 72.0525 174.9329 9 R 4.3409 8.3256 121.1006 56.0563 29.2408 175.1644 10 V 4.4311 8.0423 124.4138 60.7985 33.7722 175.1247 11 R 4.4972 7.8225 124.4639 55.8866 33.7330 174.3638 12 H 4.1443 8.8741 117.0516 57.3856 25.5891 174.7891 13 L 4.7334 8.0056 118.1318 52.9349 44.0107 176.2635 14 I 4.4015 8.2360 124.1897 59.4907 39.5822 175.0108 15 T 4.6180 7.6455 112.5498 59.9931 71.7818 172.8194 16 Y 4.7177 8.4233 119.1936 56.6056 41.4479 174.9620 17 S 4.8780 8.5953 118.9980 56.7362 67.2289 173.0964 18 L 4.8057 8.0317 120.4001 52.4764 44.9605 176.5956 19 S 4.0583 8.7308 116.2055 57.8762 62.7472 173.6163 20 P 4.2405 0.0000 0.0000 65.4368 30.9992 177.3253 21 F 4.4793 7.6865 116.5584 59.0238 39.1380 176.0141 22 E 4.3025 8.4128 120.8465 56.6058 29.9657 174.8874 23 Q 4.7518 7.7740 115.8214 54.0868 30.9722 174.2698 24 R 4.3508 8.0468 114.0297 53.7303 30.6436 173.6532 25 P 4.3001 0.0000 0.0000 66.3600 30.6859 178.0777 26 F 3.8230 8.4605 114.4680 57.7187 40.5460 176.3543 27 P 4.6296 0.0000 0.0000 65.0235 29.4360 177.0154 28 H 4.4144 8.4532 108.1730 54.0355 27.3726 173.2406 29 Y 4.5800 6.3861 118.4580 58.0971 39.4411 175.9539 30 F 4.2974 9.3883 124.6543 58.3147 36.9923 176.7293 31 S 4.2613 8.0721 116.4056 61.4938 63.0260 176.0537 32 K 4.5728 7.8704 119.5137 54.6282 35.9832 180.5497 33 G 3.8909 9.2235 101.6579 49.8408 0.0000 175.2536 34 V 3.7326 9.2233 122.7519 65.3059 32.1113 174.2189 35 P 4.2886 0.0000 0.0000 65.8379 30.9984 178.1490 36 N 4.3576 7.7729 113.7719 56.1296 38.7134 177.0541 37 V 3.7488 7.4377 118.4647 66.1877 31.4549 177.8756 38 W 4.0169 8.2419 127.5619 60.3854 30.3798 177.5922 39 R 3.9285 8.0893 117.3404 58.5585 29.2785 177.4021 40 R 4.3080 7.6947 116.6669 57.8476 31.4910 177.6287 41 L 3.9870 7.4798 119.5103 57.2480 42.0245 177.0534 42 R 3.9766 7.0030 124.1779 56.9117 28.7278 175.8166 43 A 5.5084 7.2489 135.0000 53.4381 17.8920 176.9546 44 C 4.7026 7.3321 112.5745 59.6347 30.3296 176.7072 45 I 3.5106 8.0434 118.6221 62.6464 34.9782 183.0189 46 L 4.4018 7.7015 116.7597 55.7994 42.0481 177.9014 47 R 4.3142 8.2799 117.6461 57.2927 31.1706 177.9929 48 V 3.5776 7.4257 117.2552 64.9054 31.7861 177.2632 49 A 3.9620 7.6055 119.4641 55.7115 18.1972 177.5138 50 P 4.2093 0.0000 0.0000 65.9675 31.3676 176.0433 51 P 4.2935 0.0000 0.0000 65.0947 31.2105 178.4379 52 F 4.5711 7.6536 116.9587 60.3980 38.7852 176.8561 53 L 3.9655 8.9794 120.8533 58.4262 41.7636 178.5838 54 A 4.1019 8.6342 123.1133 56.1336 18.2449 179.9331 *55 F 4.0217 8.3678 118.4870 62.6524 38.0682 178.8894 56 Y 4.5664 8.1369 120.4179 60.9703 38.6255 178.1425 57 L 3.9912 8.1430 119.4818 57.6243 41.7571 178.9967 58 L 4.1329 8.2739 120.0324 59.4089 41.9374 178.1915 59 Y 4.1952 9.0129 120.2522 60.3169 38.6461 177.6198 60 T 3.2496 8.4356 116.4022 67.1089 68.8467 175.6128 61 W 4.2106 8.9314 128.8613 60.8924 30.5821 177.8016 62 G 3.3997 8.8518 104.9301 48.2751 0.0000 175.0618 63 T 3.7221 7.9253 112.7945 64.3541 68.6589 176.1856 64 Q 3.6634 7.8279 121.4025 58.1735 28.8483 179.2078 65 E 3.5994 7.9196 120.1884 59.4102 29.2607 178.9935 66 F 4.1479 7.4475 118.6806 61.4359 39.6530 176.3469 67 E 3.5963 8.3788 119.2592 58.7680 29.3246 178.7532 68 K 3.7847 8.5584 120.2062 59.5890 32.2394 178.8707 69 S 4.1631 8.0324 113.4270 60.5803 62.8947 176.1709 70 K 4.0419 7.1773 120.9651 57.6520 32.2386 177.5786 71 R 4.1827 7.3120 119.4753 55.7373 30.9083 176.9091 72 K 4.0458 8.3240 123.3263 54.9503 32.3649 178.1026 73 N 4.6386 8.6680 121.8110 51.4323 37.0543 175.0676 *74 P 4.1542 0.0000 0.0000 63.7793 31.1292 173.9427 75 A 4.5890 7.8023 118.7511 51.7546 19.1485 178.2264 76 A 3.6155 9.0141 122.0374 55.4310 18.9667 178.8645 77 Y 4.9337 6.8045 112.6163 56.5549 38.9468 175.7429 78 V 3.9153 7.7328 118.9444 64.9054 32.5460 175.2942 79 N 4.6434 7.8407 121.5966 54.2006 39.0956 173.9685 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 R 8.35 4.22 0.00 1.85 1.84 0.00 3.22 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 3 Q 8.20 4.37 0.00 2.14 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.78 0.00 0.00 0.00 0.00 0.00 2.20 2.01 0.00 4 F 8.42 5.10 0.00 3.04 2.86 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 0.00 0.00 0.00 5 G 9.53 4.16 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 0.00 0.00 0.00 *6 H 7.84 5.04 0.00 2.88 2.86 0.00 7.18 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.33 4.53 0.00 1.69 1.78 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 *8 T 7.36 4.42 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 1.21 0.00 0.00 9 R 8.33 4.34 0.00 1.73 1.90 0.00 3.19 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 10 V 8.04 4.43 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 0.87 0.00 0.00 0.92 0.00 0.00 11 R 7.82 4.50 0.00 1.59 1.20 0.00 3.30 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 12 H 8.87 4.14 0.00 3.31 3.41 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.01 4.73 0.00 1.55 1.53 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.24 4.40 1.73 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 1.38 0.54 0.33 0.00 0.00 15 T 7.65 4.62 4.20 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 1.14 0.00 0.00 16 Y 8.42 4.72 0.00 2.84 2.85 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 17 S 8.60 4.88 0.00 3.81 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.03 4.81 0.00 1.59 1.54 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 19 S 8.73 4.06 0.00 3.94 3.87 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 20 P 0.00 4.24 0.00 1.78 1.99 0.00 3.76 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.69 0.00 21 F 7.69 4.48 0.00 3.15 3.13 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 0.00 22 E 8.41 4.30 0.00 1.94 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 2.30 2.30 0.00 23 Q 7.77 4.75 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.63 0.00 0.00 0.00 0.00 0.00 2.38 2.28 0.00 24 R 8.05 4.35 0.00 0.87 1.55 0.00 2.43 0.00 0.00 3.09 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.29 0.00 25 P 0.00 4.30 0.00 2.31 2.33 0.00 4.04 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.22 0.00 26 F 8.46 3.82 0.00 2.98 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 27 P 0.00 4.63 0.00 2.41 1.79 0.00 3.76 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 2.01 2.06 0.00 28 H 8.45 4.41 0.00 3.16 3.18 0.00 5.62 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 29 Y 6.39 4.58 0.00 3.58 3.23 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 0.00 30 F 9.39 4.30 0.00 3.15 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.07 4.26 0.00 3.81 3.83 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 32 K 7.87 4.57 0.00 1.63 1.75 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 0.96 7.81 33 G 9.22 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 34 V 9.22 3.73 1.93 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 1.02 0.00 0.00 0.89 0.00 0.00 35 P 0.00 4.29 0.00 2.35 2.12 0.00 3.94 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.18 0.00 36 N 7.77 4.36 0.00 2.83 2.91 0.00 0.00 7.02 7.62 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 37 V 7.44 3.75 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 1.04 0.00 0.00 0.99 0.00 0.00 38 W 8.24 4.02 0.00 3.54 3.26 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 39 R 8.09 3.93 0.00 2.06 2.15 0.00 3.29 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 40 R 7.69 4.31 0.00 1.95 1.85 0.00 3.17 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.89 0.00 41 L 7.48 3.99 0.00 1.38 1.09 0.64 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.00 3.98 0.00 0.67 1.37 0.00 3.97 0.00 0.00 3.51 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.43 0.00 43 A 7.25 5.51 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 44 C 7.33 4.70 0.00 2.85 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 45 I 8.04 3.51 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 1.30 0.72 0.91 0.00 0.00 46 L 7.70 4.40 0.00 1.57 1.70 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.28 4.31 0.00 1.75 1.89 0.00 3.10 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 48 V 7.43 3.58 1.93 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 0.70 0.00 0.00 0.78 0.00 0.00 49 A 7.61 3.96 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 50 P 0.00 4.21 0.00 2.24 2.25 0.00 3.65 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 2.07 2.20 0.00 51 P 0.00 4.29 0.00 2.29 2.33 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.89 0.00 52 F 7.65 4.57 0.00 3.27 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 53 L 8.98 3.97 0.00 1.71 1.92 0.93 1.10 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 54 A 8.63 4.10 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 F 8.37 4.02 0.00 2.31 2.33 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 0.00 0.00 0.00 0.00 56 Y 8.14 4.57 0.00 3.12 3.37 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 57 L 8.14 3.99 0.00 1.95 1.75 1.14 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.27 4.13 0.00 1.84 1.98 1.10 1.00 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 59 Y 9.01 4.20 0.00 2.99 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 8.44 3.25 4.18 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 1.07 0.00 0.00 61 W 8.93 4.21 0.00 3.36 3.26 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 62 G 8.85 3.40 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 0.00 63 T 7.93 3.72 4.04 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 0.00 0.00 0.83 0.00 0.00 64 Q 7.83 3.66 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.71 0.00 0.00 0.00 0.00 0.00 2.26 2.39 0.00 65 E 7.92 3.60 0.00 1.16 1.16 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 1.81 2.14 0.00 66 F 7.45 4.15 0.00 2.82 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 67 E 8.38 3.60 0.00 1.93 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 2.20 2.21 0.00 68 K 8.56 3.78 0.00 1.78 1.83 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.41 7.81 69 S 8.03 4.16 0.00 3.91 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 70 K 7.18 4.04 0.00 1.65 1.66 0.00 1.51 0.00 0.00 1.46 0.00 0.00 2.78 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 0.83 7.81 71 R 7.31 4.18 0.00 1.75 1.81 0.00 3.09 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 72 K 8.32 4.05 0.00 1.78 1.59 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.36 1.00 7.81 73 N 8.67 4.64 0.00 2.64 2.77 0.00 0.00 6.89 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 *74 P 0.00 4.15 0.00 2.09 1.99 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.65 0.00 75 A 7.80 4.59 1.24 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 76 A 9.01 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 6.80 4.93 0.00 3.08 3.09 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 78 V 7.73 3.92 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 0.84 0.00 0.00 0.94 0.00 0.00 79 N 7.84 4.64 0.00 2.71 2.66 0.00 0.00 6.78 7.44 0.00 0.00 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.