NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.1503 8.3344 116.7894 57.5448 64.5664 168.9962 5 L 3.4576 8.2047 130.9105 52.8153 41.5312 172.2478 6 K 4.7957 9.3312 125.7617 56.3899 34.6227 176.3929 7 K 4.6664 8.2657 116.9000 54.2167 32.9419 175.9412 8 G 4.3303 7.3534 109.3722 45.6732 0.0000 172.5308 9 V 3.9584 7.6057 118.0645 62.2205 31.8617 175.3306 10 F 4.0643 8.3369 109.7597 58.1573 37.6969 176.1231 11 V 3.5726 8.0008 124.0152 61.8913 31.6299 175.8727 12 D 4.6086 8.2922 122.1075 54.2234 41.8675 177.0813 13 D 4.4441 8.8619 122.9624 58.0227 40.8266 178.6938 14 H 4.0518 8.2872 113.6980 59.0079 28.5245 176.6866 15 L 4.1428 7.6396 120.7921 57.2701 41.6722 178.4123 16 L 3.8763 7.7958 120.3984 58.4404 41.9008 178.5282 17 E 3.8834 8.2329 118.3571 59.4494 29.6287 178.6058 18 K 3.9781 7.9258 118.6453 58.8936 32.0512 179.1337 19 V 3.5118 7.8824 119.3786 65.7942 31.3713 178.0345 20 L 3.9760 7.7137 118.1241 57.9149 41.5296 178.9078 21 E 3.8685 8.0177 117.0596 59.5152 29.6912 179.1012 22 L 4.2207 7.8165 117.2030 56.3552 41.8727 178.7539 23 N 4.3877 7.7552 117.8874 55.4943 39.3146 173.9097 24 A 4.5277 8.1548 124.8162 53.8411 16.5307 176.0909 25 K 4.1074 8.6761 120.4841 55.4602 30.4594 175.9426 26 G 3.7142 7.5245 106.8098 46.0323 0.0000 173.4105 27 E 4.4740 8.9855 122.7730 55.8933 32.3412 177.4998 28 K 4.3656 8.3194 119.6041 58.1003 31.5455 178.5178 29 R 4.4878 8.1564 119.8599 57.9332 30.0148 176.4967 30 L 4.1711 7.9690 118.1378 55.6825 41.5037 176.5816 31 I 3.8263 8.9098 119.6280 60.7015 38.4278 175.5574 32 K 4.6752 8.2586 129.8850 56.1065 34.1865 175.2526 33 T 4.1919 7.0440 114.7868 62.8151 69.8744 173.2054 34 W 5.0598 8.9057 118.4870 57.4478 32.2895 176.2711 35 S 4.8321 8.6840 116.0122 57.5196 61.6093 175.5887 36 R 4.2183 7.9296 112.6943 58.1441 29.5307 177.8591 37 R 4.3251 7.8471 115.8161 58.1628 30.1178 176.6263 38 S 4.3634 8.3088 114.1664 58.5426 64.6128 173.1064 39 T 4.5298 7.6589 116.1692 61.5305 69.9932 175.2014 40 I 3.8629 8.0234 125.5284 61.8082 38.1312 175.4811 41 V 4.1470 7.9998 123.0653 60.1414 33.0640 172.5544 42 P 4.0206 0.0000 0.0000 63.8345 31.2727 174.5735 43 E 3.5339 8.6345 124.9180 56.8100 26.4175 174.0342 44 M 4.5441 7.4577 117.2924 54.7028 33.6420 176.9886 45 V 3.9372 7.5709 112.6304 63.4011 32.1375 175.0966 46 G 4.0095 9.4297 111.4067 45.3194 0.0000 172.9212 47 H 4.6162 7.9226 117.1774 54.2995 29.1387 174.3438 48 T 4.5893 8.1927 115.9465 60.3565 69.9300 174.1644 49 I 4.4611 7.9701 126.3551 59.6921 39.5288 175.1101 50 A 5.0754 8.1237 128.4463 49.9730 19.2589 177.2531 51 V 3.8707 8.1658 121.8615 63.4096 33.9087 173.8922 52 Y 5.4816 8.4604 123.4949 54.7746 40.0143 174.7479 53 N 4.5188 8.4850 123.7192 52.6724 38.0217 175.0386 54 G 3.9061 6.7317 108.1198 45.6546 0.0000 174.5873 55 K 4.2444 7.3284 118.5426 57.3053 34.0886 174.9266 56 Q 4.5608 7.0721 113.4379 55.8086 32.0038 171.7663 57 H 5.2800 8.7697 116.8222 55.1629 30.2341 175.7682 58 V 4.0591 8.8006 119.3988 59.3293 32.0578 173.8397 59 P 5.0105 0.0000 0.0000 62.7953 30.2038 175.1784 60 V 4.2892 8.4260 127.5644 59.8131 33.4525 176.1220 61 Y 4.5775 8.7872 127.3400 55.9468 38.0565 176.6699 62 I 4.2208 8.3212 121.7545 60.9408 40.0036 172.2624 63 T 4.5606 7.4152 120.5163 60.2599 70.3214 173.6035 64 E 4.0058 8.8083 122.4573 59.5655 29.2994 178.5034 65 N 4.3964 8.1048 116.1699 56.4395 38.7113 176.3103 66 M 4.6276 7.4070 119.7737 54.5094 29.9287 175.3640 67 V 4.2120 8.0143 123.4460 64.6606 34.6070 176.5750 68 G 3.7669 8.0508 105.3681 46.6482 0.0000 173.1099 69 H 4.7905 7.9049 117.5457 54.8996 30.3735 174.0594 70 K 4.9392 8.1783 118.9741 54.9911 33.3663 178.1499 71 L 4.5246 8.2679 120.1925 56.4214 41.2755 178.2377 72 G 3.9760 7.9865 107.1135 46.0653 0.0000 174.0857 73 E 4.3653 8.2535 119.5010 55.8478 29.7038 177.1816 74 F 4.6980 7.8315 112.3583 57.9635 43.1083 174.7904 75 A 4.6028 7.6311 124.2480 48.5664 18.9379 173.1503 76 P 4.2650 0.0000 0.0000 63.7966 31.7840 177.1372 77 T 4.4727 8.3650 110.8549 61.1780 69.0113 173.9199 78 R 4.6365 7.4949 118.9606 55.9214 34.2590 174.0480 79 T 4.4296 8.3803 116.0060 63.5902 69.9871 173.7052 80 Y 3.5029 8.7975 126.8189 57.9558 36.3646 168.6011 81 R 4.5984 7.2848 123.4725 54.4887 32.4617 176.6602 *82 G 3.7274 8.6281 109.7144 46.9194 0.0000 172.4120 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 4 S 8.33 4.15 0.00 3.88 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 5 L 8.20 3.46 0.00 1.65 1.65 1.07 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 K 9.33 4.80 0.00 1.85 1.80 0.00 1.62 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.38 7.81 7 K 8.27 4.67 0.00 1.70 1.79 0.00 1.80 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.35 1.50 7.81 8 G 7.35 4.33 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 0.00 0.00 0.00 9 V 7.61 3.96 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 0.84 0.00 0.00 0.91 0.00 0.00 10 F 8.34 4.06 0.00 3.31 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 11 V 8.00 3.57 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 0.60 0.00 0.00 0.84 0.00 0.00 12 D 8.29 4.61 0.00 2.58 2.47 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 13 D 8.86 4.44 0.00 2.75 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 14 H 8.29 4.05 0.00 3.33 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.64 4.14 0.00 1.63 1.72 0.98 0.36 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 16 L 7.80 3.88 0.00 1.85 1.84 0.89 0.71 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 17 E 8.23 3.88 0.00 2.07 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 2.54 2.38 0.00 18 K 7.93 3.98 0.00 1.94 1.99 0.00 1.56 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.45 7.81 19 V 7.88 3.51 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 0.94 0.00 0.00 0.95 0.00 0.00 20 L 7.71 3.98 0.00 1.72 1.67 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 21 E 8.02 3.87 0.00 1.95 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 2.34 2.55 0.00 22 L 7.82 4.22 0.00 1.76 1.63 0.90 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.76 4.39 0.00 2.96 2.93 0.00 0.00 6.91 7.83 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 24 A 8.15 4.53 1.33 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 0.00 0.00 25 K 8.68 4.11 0.00 2.10 2.37 0.00 1.86 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.28 1.29 7.81 26 G 7.52 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 27 E 8.99 4.47 0.00 1.89 1.92 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 2.32 2.31 0.00 28 K 8.32 4.37 0.00 1.73 1.73 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.37 7.81 29 R 8.16 4.49 0.00 2.18 2.06 0.00 2.96 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 30 L 7.97 4.17 0.00 1.60 1.68 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.91 3.83 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 1.20 1.17 0.93 0.00 0.00 32 K 8.26 4.68 0.00 1.63 1.39 0.00 1.90 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.72 1.21 7.81 33 T 7.04 4.19 4.27 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 1.20 0.00 0.00 34 W 8.91 5.06 0.00 3.38 3.04 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 0.00 35 S 8.68 4.83 0.00 4.13 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 0.00 36 R 7.93 4.22 0.00 2.02 2.17 0.00 3.36 0.00 0.00 3.40 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 37 R 7.85 4.33 0.00 2.08 2.21 0.00 3.53 0.00 0.00 3.41 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 38 S 8.31 4.36 0.00 3.81 4.10 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 0.00 0.00 0.00 0.00 39 T 7.66 4.53 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 1.12 0.00 0.00 40 I 8.02 3.86 2.01 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.78 0.92 0.00 0.00 41 V 8.00 4.15 2.06 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 0.79 0.00 0.00 0.89 0.00 0.00 42 P 0.00 4.02 0.00 2.06 2.06 0.00 3.76 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 2.02 2.09 0.00 43 E 8.63 3.53 0.00 2.11 2.06 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 2.16 2.26 0.00 44 M 7.46 4.54 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.71 0.00 45 V 7.57 3.94 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 0.63 0.00 0.00 0.96 0.00 0.00 46 G 9.43 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 47 H 7.92 4.62 0.00 3.22 3.21 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.19 4.59 4.15 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 0.44 0.00 0.00 49 I 7.97 4.46 1.83 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 1.13 0.53 0.91 0.00 0.00 50 A 8.12 5.08 1.15 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 0.00 0.00 51 V 8.17 3.87 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 1.10 0.00 0.00 1.00 0.00 0.00 52 Y 8.46 5.48 0.00 2.38 2.58 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 53 N 8.48 4.52 0.00 2.89 2.82 0.00 0.00 6.46 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 G 6.73 3.91 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 0.00 0.00 0.00 55 K 7.33 4.24 0.00 1.57 1.64 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.36 7.81 56 Q 7.07 4.56 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.56 0.00 0.00 0.00 0.00 0.00 2.14 2.30 0.00 57 H 8.77 5.28 0.00 3.05 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 V 8.80 4.06 2.09 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 0.73 0.00 0.00 1.01 0.00 0.00 59 P 0.00 5.01 0.00 2.04 2.08 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 60 V 8.43 4.29 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 0.82 0.00 0.00 1.00 0.00 0.00 61 Y 8.79 4.58 0.00 2.95 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 62 I 8.32 4.22 1.94 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.55 1.20 0.00 0.00 63 T 7.42 4.56 3.99 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 0.00 0.00 1.22 0.00 0.00 64 E 8.81 4.01 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 2.25 2.34 0.00 65 N 8.10 4.40 0.00 2.74 2.95 0.00 0.00 6.94 7.66 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 66 M 7.41 4.63 0.00 2.30 1.89 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 67 V 8.01 4.21 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 0.83 0.00 0.00 0.94 0.00 0.00 68 G 8.05 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 69 H 7.90 4.79 0.00 3.63 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 K 8.18 4.94 0.00 1.96 1.99 0.00 1.97 0.00 0.00 1.80 0.00 0.00 3.28 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.52 1.72 7.81 71 L 8.27 4.52 0.00 1.74 1.82 0.93 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.99 3.98 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 0.00 0.00 0.00 73 E 8.25 4.37 0.00 1.38 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 2.11 2.16 0.00 74 F 7.83 4.70 0.00 3.05 3.04 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 0.00 75 A 7.63 4.60 1.23 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 0.00 0.00 76 P 0.00 4.27 0.00 2.16 2.06 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 77 T 8.37 4.47 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 78 R 7.49 4.64 0.00 1.76 1.84 0.00 3.19 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 79 T 8.38 4.43 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 1.28 0.00 0.00 80 Y 8.80 3.50 0.00 3.03 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 81 R 7.28 4.60 0.00 1.74 1.72 0.00 3.45 0.00 0.00 3.21 7.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 *82 G 8.63 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.