NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.4702 8.1727 120.0863 56.2522 34.2770 174.3311 3 V 4.2040 8.2655 125.3234 61.1941 30.9896 174.0573 4 T 4.4612 9.1427 119.5153 62.4485 70.3811 173.9497 5 D 4.7589 7.7001 120.9395 53.1567 44.9148 173.8666 6 V 4.8325 8.3136 123.6722 61.1893 34.7267 174.1779 7 R 4.8401 9.2941 128.5690 54.4150 32.6604 174.1527 8 L 5.3076 8.5022 125.0296 54.3213 43.9837 175.0367 9 R 4.6735 8.4939 116.4402 54.1985 32.0571 174.9339 10 K 4.4783 8.7176 123.3943 56.3575 32.8884 176.4101 11 I 4.3249 8.1808 126.3695 59.9794 38.4808 176.0380 12 Q 4.1560 8.6886 125.0045 56.4836 28.0336 175.0531 13 T 4.5267 7.9326 116.0521 61.1466 70.0631 172.8282 14 D 4.6586 8.6280 125.4734 53.2918 40.0818 176.8043 15 G 3.8193 8.5261 110.2787 45.6769 0.0000 174.7218 16 R 4.2020 8.0445 119.5589 55.0888 27.7407 177.5736 *18 K 4.6283 7.9596 119.0774 55.9283 35.5966 176.7110 19 A 4.8981 7.3100 117.3822 51.6584 23.4174 174.9283 20 L 4.9403 8.1727 123.1112 53.8030 44.4341 175.4137 21 V 4.9901 8.6826 124.6605 61.3377 35.4020 174.0606 22 S 5.4554 9.4640 123.1067 56.6519 66.4775 173.0686 23 I 5.0940 8.6785 116.2600 59.4778 41.0728 174.0970 24 T 5.0701 8.8018 121.0465 61.9744 71.2035 173.1948 25 L 4.9435 9.1803 126.6447 53.7569 43.7447 176.5529 26 D 4.4905 9.5971 124.0338 55.3486 39.1110 173.8279 27 E 3.8507 8.4548 113.4436 57.1390 27.6749 175.3961 28 A 4.6781 8.3144 121.0905 51.7936 21.0730 177.0768 29 F 4.6649 7.9992 118.1979 57.1461 42.6292 173.5000 30 V 4.8413 7.9582 119.3084 59.7425 33.8947 175.2115 31 I 4.4835 8.7620 124.8136 59.9253 39.9857 174.8110 32 H 5.0153 8.7792 123.1206 54.6652 31.7293 173.5109 33 D 4.5538 8.6913 115.5963 55.2146 39.2383 173.8069 34 L 4.6121 7.7467 116.4862 54.2905 43.2469 176.2930 35 R 5.1133 8.6994 118.9599 54.5086 34.9315 174.5980 36 V 4.1599 8.4541 123.3381 62.0511 33.0113 174.5930 37 I 4.3943 8.2811 129.1130 59.3028 39.6784 174.1651 38 E 4.7994 9.0424 128.5862 54.7853 31.7061 174.9879 39 G 4.2071 8.2712 112.6260 44.6443 0.0000 173.6947 40 N 4.4570 8.6750 116.2949 55.6908 38.5102 176.7884 41 S 4.2325 8.0953 111.1516 58.7545 63.4501 173.1750 42 G 4.2011 7.1433 107.3176 43.1389 0.0000 172.1977 43 L 4.8442 8.0115 120.2032 53.8483 42.9369 176.5757 44 F 4.9827 9.0132 116.8650 55.4295 42.1531 173.3943 45 V 4.5407 8.4682 119.5058 61.6339 32.3145 174.8741 46 A 4.7092 8.5396 135.0000 50.8802 21.9038 173.6435 *48 P 4.6356 0.0000 0.0000 63.4496 33.0218 176.1936 49 S 5.3022 8.5152 115.2905 57.2233 66.5441 172.6937 50 K 4.9645 8.9119 118.7705 55.3254 36.4516 175.0926 51 R 4.1123 8.3671 122.3270 56.2206 30.4852 176.6121 52 T 4.2960 8.9617 117.7923 60.5751 70.2558 173.7166 53 P 4.0845 0.0000 0.0000 65.3984 31.5118 176.3771 54 D 4.1471 7.8953 117.0552 56.8823 42.2319 173.5867 55 G 4.1642 8.5487 120.4125 45.0119 0.0000 172.2425 56 E 4.5721 7.7519 120.6098 53.7994 32.3441 174.2604 57 F 5.5224 8.5698 122.6530 56.5443 40.2327 175.0211 58 R 4.8048 8.4763 121.4505 54.3521 34.2073 173.4910 59 D 4.8656 8.8915 122.3590 55.4037 40.6432 177.2564 60 I 3.8908 9.0227 125.0860 63.2233 37.5253 176.3874 61 A 4.8234 7.7697 121.0643 50.5115 21.3438 175.1046 62 H 4.6813 8.4664 121.1587 54.0544 32.3584 171.4137 63 P 4.4295 0.0000 0.0000 62.4513 31.9862 176.5975 64 I 3.9017 8.4192 115.6997 62.8019 38.0156 175.4814 65 N 5.0908 7.6165 115.7362 50.1426 40.1768 174.3079 66 S 4.1872 8.6390 114.6867 62.0294 63.1917 176.8561 67 D 4.3661 7.7698 114.2508 55.4632 40.8792 177.5019 *69 R 4.2004 8.0791 119.1452 56.1121 31.9024 177.2769 70 Q 3.9797 8.3733 118.6352 59.1257 28.9072 177.7147 71 E 3.9682 8.2783 120.3419 59.3421 29.6094 178.9811 72 I 3.6972 7.6575 119.2788 64.2755 37.0662 177.8468 73 Q 3.9463 7.8621 118.9992 59.3760 28.9873 177.7390 74 D 4.5152 8.2898 118.4068 57.4784 41.2902 178.3244 75 A 4.2128 8.1066 121.0953 55.2078 18.2223 179.7632 76 V 3.8428 7.7955 114.8435 63.4562 30.6831 177.7438 *78 K 4.1970 7.9900 119.6609 55.9668 34.1298 177.9456 79 V 4.1410 7.3982 118.5495 65.3425 31.3800 177.2034 80 Y 4.0204 8.3173 119.6020 61.0769 38.4525 178.1607 81 D 4.4210 7.5851 118.2786 56.9443 40.8782 177.8586 82 E 4.1714 8.0345 117.4858 56.6638 29.8343 176.1085 83 T 4.3874 6.8271 116.2613 63.3097 70.1259 174.5587 84 D 4.7985 8.6987 123.7992 54.6129 40.2609 175.1904 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 K 8.17 4.47 0.00 1.89 1.81 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.45 7.81 3 V 8.27 4.20 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 0.74 0.00 0.00 0.98 0.00 0.00 4 T 9.14 4.46 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 1.27 0.00 0.00 5 D 7.70 4.76 0.00 2.79 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.31 4.83 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 0.86 0.00 0.00 0.95 0.00 0.00 7 R 9.29 4.84 0.00 1.90 1.74 0.00 3.18 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 8 L 8.50 5.31 0.00 1.84 1.60 0.99 0.74 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 9 R 8.49 4.67 0.00 1.90 2.04 0.00 2.77 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.57 0.00 10 K 8.72 4.48 0.00 1.74 1.76 0.00 1.65 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 1.37 1.31 7.81 11 I 8.18 4.32 1.88 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 1.28 0.38 0.91 0.00 0.00 12 Q 8.69 4.16 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.68 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 13 T 7.93 4.53 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 1.33 0.00 0.00 14 D 8.63 4.66 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 15 G 8.53 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 16 R 8.04 4.20 0.00 1.76 2.09 0.00 3.40 0.00 0.00 3.35 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 *18 K 7.96 4.63 0.00 1.81 1.97 0.00 1.66 0.00 0.00 1.94 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.64 1.64 7.81 19 A 7.31 4.90 1.40 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 20 L 8.17 4.94 0.00 1.70 1.53 1.02 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.68 4.99 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 0.98 0.00 0.00 0.94 0.00 0.00 22 S 9.46 5.46 0.00 3.74 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 23 I 8.68 5.09 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.18 0.92 0.00 0.00 24 T 8.80 5.07 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 1.23 0.00 0.00 25 L 9.18 4.94 0.00 1.64 1.62 0.97 1.00 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 26 D 9.60 4.49 0.00 2.80 2.73 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 27 E 8.45 3.85 0.00 2.14 2.04 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 2.26 2.25 0.00 28 A 8.31 4.68 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 F 8.00 4.66 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 30 V 7.96 4.84 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.67 0.00 0.00 31 I 8.76 4.48 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 0.97 0.00 0.00 32 H 8.78 5.02 0.00 3.02 3.18 0.00 5.76 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 33 D 8.69 4.55 0.00 2.97 2.81 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 34 L 7.75 4.61 0.00 1.88 1.55 0.94 0.79 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 35 R 8.70 5.11 0.00 1.58 1.62 0.00 3.04 0.00 0.00 3.05 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 36 V 8.45 4.16 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 0.19 0.00 0.00 0.74 0.00 0.00 37 I 8.28 4.39 0.56 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.15 0.82 0.00 0.00 38 E 9.04 4.80 0.00 1.84 1.78 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 2.24 2.23 0.00 39 G 8.27 4.21 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 0.00 0.00 0.00 40 N 8.67 4.46 0.00 2.74 2.91 0.00 0.00 6.88 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.10 4.23 0.00 3.97 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 42 G 7.14 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 0.00 0.00 0.00 0.00 43 L 8.01 4.84 0.00 1.50 1.47 0.68 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 F 9.01 4.98 0.00 2.95 3.02 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.47 4.54 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 0.80 0.00 0.00 0.88 0.00 0.00 46 A 8.54 4.71 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 *48 P 0.00 4.64 0.00 2.20 2.51 0.00 3.88 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 49 S 8.52 5.30 0.00 4.02 4.02 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.91 4.96 0.00 1.88 1.98 0.00 1.33 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.43 7.81 51 R 8.37 4.11 0.00 1.22 1.64 0.00 3.04 0.00 0.00 3.07 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.17 0.00 52 T 8.96 4.30 4.21 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 1.22 0.00 0.00 53 P 0.00 4.08 0.00 2.05 2.10 0.00 3.69 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 2.01 2.12 0.00 54 D 7.90 4.15 0.00 2.54 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.55 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 56 E 7.75 4.57 0.00 2.09 1.79 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 2.33 2.43 0.00 57 F 8.57 5.52 0.00 2.99 2.93 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 58 R 8.48 4.80 0.00 1.91 1.73 0.00 3.29 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 59 D 8.89 4.87 0.00 2.67 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 60 I 9.02 3.89 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.53 0.97 0.00 0.00 61 A 7.77 4.82 1.28 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 0.00 0.00 0.00 62 H 8.47 4.68 0.00 3.06 3.19 0.00 5.93 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 P 0.00 4.43 0.00 2.16 2.00 0.00 3.64 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 1.88 1.91 0.00 64 I 8.42 3.90 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 1.46 0.59 0.94 0.00 0.00 65 N 7.62 5.09 0.00 2.78 2.81 0.00 0.00 6.02 7.64 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 66 S 8.64 4.19 0.00 3.90 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 67 D 7.77 4.37 0.00 2.82 2.82 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 *69 R 8.08 4.20 0.00 1.88 2.07 0.00 3.22 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 70 Q 8.37 3.98 0.00 2.18 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.59 0.00 71 E 8.28 3.97 0.00 2.17 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 0.00 2.31 2.36 0.00 72 I 7.66 3.70 1.99 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 1.53 0.71 0.92 0.00 0.00 73 Q 7.86 3.95 0.00 2.08 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.91 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 74 D 8.29 4.52 0.00 2.65 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 75 A 8.11 4.21 1.40 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 76 V 7.80 3.84 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 1.06 0.00 0.00 0.97 0.00 0.00 *78 K 7.99 4.20 0.00 1.88 2.02 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.45 7.81 79 V 7.40 4.14 2.24 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 1.09 0.00 0.00 0.98 0.00 0.00 80 Y 8.32 4.02 0.00 3.11 2.97 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 0.00 0.00 0.00 81 D 7.59 4.42 0.00 2.92 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 82 E 8.03 4.17 0.00 2.23 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 2.31 2.40 0.00 83 T 6.83 4.39 4.14 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 1.12 0.00 0.00 84 D 8.70 4.80 0.00 2.58 2.94 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.