NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 44 L 4.2399 8.2845 120.6263 54.8492 44.1147 177.8079 45 T 4.0877 7.3485 110.0234 60.0842 69.4306 178.2595 46 T 4.1045 8.7409 119.2356 68.1734 69.2803 177.1110 47 E 3.9539 8.1971 118.5724 61.5600 29.3935 180.5517 48 Q 4.3041 8.1001 117.7530 59.0083 28.8798 178.8014 49 Q 4.0101 8.4254 120.5014 59.5332 29.3146 179.3630 50 A 4.1988 8.2771 123.2785 55.2627 18.4413 180.4629 51 T 3.9711 9.1765 114.0623 65.8400 68.5743 181.7528 52 A 4.2555 7.9730 123.5847 55.2468 18.4564 179.2693 53 Q 4.0132 8.0764 119.8370 59.8685 29.0975 179.2915 54 K 4.0449 7.8775 126.1897 60.5917 31.6754 181.7862 55 I 4.0109 7.7683 120.9942 65.1412 35.3248 179.7623 56 Y 4.0372 8.5320 119.2107 61.0580 37.7347 178.5582 57 D 4.3449 9.1498 122.6495 57.8801 40.8387 179.2083 58 D 4.3499 8.3395 121.7472 58.5438 39.6319 179.9399 59 Y 4.2179 8.2422 120.2964 60.9180 39.2128 177.6041 *60 Y 3.8639 9.0246 121.0056 61.9085 37.8517 179.6454 61 T 3.9548 8.4232 115.6932 65.5818 68.3740 177.4120 62 Q 4.5347 8.0714 119.5989 56.5688 29.4599 175.9408 63 T 4.4993 7.3385 105.8330 60.3956 70.6906 175.7103 64 S 4.0454 7.9666 118.0332 61.7974 62.4836 176.5499 65 A 3.9105 7.8175 123.4623 54.8505 18.2268 179.2380 66 L 3.8836 7.8208 116.9917 58.0611 41.6678 179.6174 67 R 3.8879 7.8652 117.7210 59.5537 29.9963 178.8159 68 Q 3.9484 7.9597 118.9642 59.3669 29.0380 178.2390 69 Q 3.9406 8.4088 120.9747 58.8362 29.0634 177.9226 70 L 3.9113 8.4173 121.9407 58.0389 42.1932 178.8173 71 I 3.4906 7.9440 120.0641 64.4966 37.0977 177.9984 72 S 4.2840 8.2901 113.9986 61.8596 62.1646 176.6298 73 K 4.1063 8.1940 120.7033 59.3288 31.6297 179.6507 74 R 3.9654 8.0677 118.6141 59.3075 29.8747 178.5613 75 Y 4.3770 7.6945 116.4320 61.3695 37.9450 178.5797 76 E 4.0325 8.3800 119.4296 59.4934 29.4692 178.7714 77 Y 4.1598 8.0893 119.4962 61.0050 38.6614 178.1175 78 N 4.1939 8.4928 116.0262 55.9918 39.0422 176.8425 79 A 4.1667 8.2473 122.3552 55.4536 18.3574 179.7617 80 L 3.9601 8.4680 117.5612 57.9228 41.4471 179.8192 81 L 3.9216 7.9029 118.3520 56.8810 41.5164 178.5301 82 T 4.4121 7.1713 106.5795 60.4218 69.3434 174.5649 83 A 4.2652 6.9479 125.1131 51.9517 19.1650 178.3015 84 S 4.2588 8.5873 114.3352 60.7491 63.2772 174.7578 85 S 4.5356 7.5801 116.9850 54.4247 63.0950 170.2393 86 P 4.0735 0.0000 0.0000 63.5796 31.3136 177.5539 87 D 4.6585 8.4216 122.5541 52.5365 40.2094 176.1660 88 T 3.8388 8.2844 116.7145 64.3705 68.6112 176.0312 89 A 3.9617 8.0067 123.0627 54.9311 18.4764 179.5107 90 K 3.9205 8.5120 117.0790 59.6892 32.1695 179.4619 91 I 3.7727 7.8932 120.0595 64.7913 37.0799 178.2955 92 N 4.4119 8.5500 117.0762 56.1678 38.3373 177.3603 93 A 4.0067 8.2178 122.3631 55.1373 18.3927 179.9054 94 V 3.7893 8.4420 118.0850 65.5254 31.5534 177.9333 95 A 3.7817 8.2240 120.5985 55.3356 18.2148 179.8414 96 K 3.9301 8.2729 116.7466 59.4103 32.0510 179.5490 97 E 3.9575 8.0649 119.0728 59.6071 29.2976 179.1957 98 M 4.0937 8.1948 118.9241 58.3317 32.1289 178.3440 99 E 3.8753 8.3649 120.0464 59.2666 29.7725 179.1024 100 S 4.1472 7.9477 114.1881 61.1769 63.2020 176.2313 101 L 4.0400 8.1444 123.0383 57.7177 41.4666 179.9280 102 G 3.5805 8.3275 105.4834 47.5086 0.0000 175.5874 103 Q 3.9277 7.8372 121.4460 59.0626 29.0386 178.1672 104 K 3.8963 8.0415 119.4526 59.6912 32.0464 178.8076 105 L 3.9495 8.0783 119.0534 58.3335 41.6058 179.2275 106 D 4.3808 8.3701 118.4529 57.6803 40.8941 179.0879 107 E 3.9373 8.0351 119.4743 59.4022 29.6041 178.9230 108 Q 4.0928 7.9332 117.9966 58.7588 28.6706 178.5315 109 R 3.5812 8.3615 120.2806 59.3845 30.1176 178.8004 110 V 3.5339 7.9687 118.0730 65.6514 31.4140 177.9977 111 K 3.8434 7.9007 117.9840 59.5632 31.9740 178.7700 112 R 3.7458 7.9716 118.6836 59.7448 29.8881 177.8571 113 D 4.3203 8.1701 118.5612 57.7126 41.0317 179.3746 114 V 3.7047 8.3158 118.0167 65.2227 31.3783 177.9745 115 A 4.0171 8.2432 121.5044 55.2829 17.9862 179.3272 116 M 3.9707 8.1248 116.9775 58.4788 32.1349 178.4408 117 A 4.0423 7.9706 120.7334 55.8261 18.3210 179.8580 118 Q 3.9921 7.7818 113.8625 58.8319 28.8181 178.4921 119 A 4.2033 8.0932 121.1481 52.9777 18.4021 178.4733 120 G 3.8048 7.8228 104.9328 45.7955 0.0000 173.6068 121 I 3.9680 7.3160 124.9290 60.8063 37.9178 175.3308 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 44 L 8.28 4.24 0.00 1.64 1.79 0.91 0.52 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 45 T 7.35 4.09 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 46 T 8.74 4.10 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 47 E 8.20 3.95 0.00 2.06 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 2.24 1.99 0.00 48 Q 8.10 4.30 0.00 2.08 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 49 Q 8.43 4.01 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.46 0.00 50 A 8.28 4.20 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.18 3.97 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 52 A 7.97 4.26 1.35 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 0.00 0.00 53 Q 8.08 4.01 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.67 0.00 54 K 7.88 4.04 0.00 1.92 1.81 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.34 7.81 55 I 7.77 4.01 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 1.52 0.54 0.91 0.00 0.00 56 Y 8.53 4.04 0.00 3.20 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 57 D 9.15 4.34 0.00 2.73 2.76 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 58 D 8.34 4.35 0.00 2.69 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 59 Y 8.24 4.22 0.00 2.73 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 *60 Y 9.02 3.86 0.00 2.49 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 61 T 8.42 3.95 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 62 Q 8.07 4.53 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.68 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 63 T 7.34 4.50 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 0.87 0.00 0.00 64 S 7.97 4.05 0.00 4.07 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 A 7.82 3.91 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 66 L 7.82 3.88 0.00 1.83 1.69 0.90 0.91 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 67 R 7.87 3.89 0.00 1.82 1.97 0.00 3.13 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 68 Q 7.96 3.95 0.00 2.26 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 69 Q 8.41 3.94 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 70 L 8.42 3.91 0.00 1.83 1.76 0.86 1.26 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 71 I 7.94 3.49 2.03 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 1.33 0.74 0.89 0.00 0.00 72 S 8.29 4.28 0.00 4.02 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.19 4.11 0.00 2.07 1.82 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.54 7.81 74 R 8.07 3.97 0.00 1.76 1.81 0.00 2.97 0.00 0.00 3.05 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 75 Y 7.69 4.38 0.00 3.28 2.91 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 76 E 8.38 4.03 0.00 2.28 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 2.39 2.40 0.00 77 Y 8.09 4.16 0.00 3.09 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 78 N 8.49 4.19 0.00 2.91 2.91 0.00 0.00 7.07 7.19 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 79 A 8.25 4.17 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.47 3.96 0.00 1.75 1.70 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 81 L 7.90 3.92 0.00 1.57 1.58 0.23 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.17 4.41 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 1.21 0.00 0.00 83 A 6.95 4.27 1.27 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 0.00 0.00 84 S 8.59 4.26 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 85 S 7.58 4.54 0.00 3.82 3.80 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 86 P 0.00 4.07 0.00 2.14 2.07 0.00 3.74 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 1.98 1.96 0.00 87 D 8.42 4.66 0.00 2.72 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 T 8.28 3.84 4.25 0.00 0.00 0.00 0.00 0.00 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 89 A 8.01 3.96 1.37 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 0.00 0.00 90 K 8.51 3.92 0.00 2.05 1.89 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.58 7.81 91 I 7.89 3.77 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.95 0.00 0.00 92 N 8.55 4.41 0.00 2.87 2.89 0.00 0.00 6.97 7.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.22 4.01 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 94 V 8.44 3.79 2.21 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 1.28 0.00 0.00 1.01 0.00 0.00 95 A 8.22 3.78 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 96 K 8.27 3.93 0.00 2.05 1.86 0.00 1.79 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 1.46 1.35 7.81 97 E 8.06 3.96 0.00 2.21 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 2.33 2.53 0.00 98 M 8.19 4.09 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.45 0.00 99 E 8.36 3.88 0.00 1.96 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 2.28 2.29 0.00 100 S 7.95 4.15 0.00 4.11 4.08 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 0.00 101 L 8.14 4.04 0.00 1.81 1.74 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 G 8.33 3.58 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 0.00 0.00 0.00 103 Q 7.84 3.93 0.00 2.25 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.53 0.00 104 K 8.04 3.90 0.00 1.99 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.48 7.81 105 L 8.08 3.95 0.00 1.85 1.76 0.92 1.27 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 0.00 106 D 8.37 4.38 0.00 2.89 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 0.00 107 E 8.04 3.94 0.00 2.28 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 108 Q 7.93 4.09 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.58 2.48 0.00 109 R 8.36 3.58 0.00 1.88 2.06 0.00 3.06 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.37 0.00 110 V 7.97 3.53 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 0.92 0.00 0.00 0.93 0.00 0.00 111 K 7.90 3.84 0.00 2.09 1.85 0.00 1.74 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.46 7.81 112 R 7.97 3.75 0.00 1.52 1.72 0.00 2.21 0.00 0.00 2.25 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.23 0.00 113 D 8.17 4.32 0.00 2.80 2.68 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 0.00 0.00 0.00 0.00 114 V 8.32 3.70 2.14 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 1.00 0.00 0.00 0.95 0.00 0.00 115 A 8.24 4.02 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.12 3.97 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.91 0.00 117 A 7.97 4.04 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 0.00 118 Q 7.78 3.99 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.94 0.00 0.00 0.00 0.00 0.00 2.39 2.37 0.00 119 A 8.09 4.20 1.35 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 0.00 0.00 120 G 7.82 3.80 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 0.00 0.00 0.00 121 I 7.32 3.97 1.88 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 1.17 0.80 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.