NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7859 8.3431 109.7410 45.2533 0.0000 173.0452 *2 G 3.6453 7.6657 106.6446 45.1351 0.0000 170.8181 3 N 5.0251 9.2744 121.9288 51.2892 41.7567 173.4435 4 I 4.6332 7.9551 124.0922 60.1091 38.8697 174.6999 5 Y 4.8466 9.2077 123.9704 56.1842 42.2802 173.9811 6 Q 4.9225 8.7905 122.7988 54.6813 30.9174 174.4888 7 I 4.3798 8.4452 127.5112 59.7303 39.5781 174.6736 8 T 5.0305 8.4303 122.9070 61.6315 71.7093 173.4211 9 V 4.5850 9.0657 126.1927 60.9076 34.4606 173.9188 10 E 5.1849 8.6857 125.0508 54.2360 32.6118 175.3288 11 E 4.0845 9.1077 123.5442 56.3540 29.8889 178.4295 12 K 3.9153 9.0205 124.4252 58.4346 32.8145 176.0858 13 A 4.8158 7.5653 122.4042 51.1741 23.4509 178.2541 14 E 3.7176 8.5285 117.1566 57.7710 28.3287 174.0580 15 H 4.4135 9.1891 116.7795 57.9011 28.9518 174.8192 16 Q 4.0987 7.7418 116.2722 55.9640 26.6908 174.1465 17 R 4.4159 8.3461 115.8036 56.5852 31.5068 176.4817 18 T 5.3610 8.3151 110.4803 60.0797 72.3674 172.8967 19 L 4.9682 9.0484 122.1950 54.3961 44.3041 175.1513 20 S 5.3064 8.7137 115.2275 56.9413 65.5714 172.7795 21 F 5.1331 8.8840 120.9700 55.3925 41.5566 172.9709 22 E 4.9358 8.9754 121.3955 55.9316 30.8556 175.2224 23 F 5.1579 9.6483 127.5008 56.9812 43.5497 172.5442 24 S 5.1974 7.6459 119.7198 56.4877 64.1483 172.9177 25 L 4.7175 8.9257 126.3837 52.9448 45.2059 176.3286 26 H 4.9299 8.6521 118.1127 55.8963 29.0159 174.7562 27 D 4.8297 7.6992 117.5640 51.7551 44.6877 175.9966 28 D 4.7112 8.4818 120.5211 53.3561 41.1324 176.6362 29 L 3.8703 9.1573 130.1201 58.2964 42.3147 178.7854 30 F 3.9874 8.5679 117.1811 60.3276 38.8877 177.4705 31 K 4.0544 8.6485 119.5198 59.2924 31.9795 178.6671 32 L 3.9724 8.2010 120.8551 58.1410 41.8695 178.9835 33 L 3.9635 8.2004 119.2175 57.7320 41.2938 179.3274 34 E 3.9924 7.8649 117.1276 59.1826 29.5003 178.9700 35 K 4.0665 7.8234 118.2648 59.7393 32.6346 178.8582 36 V 4.0325 7.9734 111.0668 61.2938 31.4256 175.0952 37 D 4.4158 7.2509 118.9994 55.8896 40.9461 176.5246 38 G 3.9451 8.9159 114.0930 45.9254 0.0000 173.2264 39 K 4.3227 7.9981 119.3695 55.9402 32.6035 177.0170 *41 D 4.2354 7.7382 115.3194 54.1770 42.1609 174.4117 *43 T 4.1708 7.1586 111.9560 60.9345 71.9197 172.9556 44 P 4.2924 0.0000 0.0000 66.3003 31.3081 179.6295 45 E 4.0027 8.0876 116.8000 61.2297 29.7980 182.3145 46 Q 4.2583 7.7817 119.1362 59.0539 28.5517 179.0357 47 T 4.0156 7.9505 115.8190 66.6616 68.5680 176.2271 48 Q 4.0571 7.8609 119.7293 59.1332 29.3990 177.6911 49 A 4.2055 8.0747 121.7799 55.0908 18.3592 179.5149 50 F 4.4559 8.2366 114.8370 59.7163 39.1435 176.6418 *52 V 3.8348 7.7285 118.1367 62.7270 33.2715 177.7060 53 G 3.6715 8.3069 106.4321 47.7592 0.0000 175.2845 54 L 3.9033 7.9903 123.3888 57.8374 42.0570 179.3004 55 K 3.9474 7.8386 117.8321 59.1891 31.5430 179.2189 56 L 4.0957 8.0081 119.5628 57.9641 41.4425 179.6377 57 F 4.4411 8.2800 113.3339 59.6507 37.9882 177.5112 58 G 3.3261 7.6427 105.9833 47.3502 0.0000 174.9003 59 E 4.2247 7.9626 120.8662 58.3517 31.2160 178.2717 60 V 3.9946 7.3532 119.5665 63.2896 28.8650 175.6621 *63 Q 4.4096 7.9243 121.2932 54.8321 31.2610 175.8996 64 Q 4.8512 7.8816 117.3800 54.8167 29.6395 177.6586 65 R 3.9609 8.5987 122.2849 60.2351 30.2469 177.8688 66 K 4.2474 8.0101 116.3245 55.8820 32.3417 178.4425 67 H 4.2417 8.2978 118.9679 56.4576 29.9765 174.4241 68 P 4.2858 0.0000 0.0000 65.1444 31.4938 177.3624 69 L 3.8292 7.8244 117.4535 56.9866 41.6183 177.8912 70 F 5.2639 8.0678 115.3119 57.7474 41.5070 177.5636 71 K 3.9910 8.6982 121.8257 60.2733 31.8644 178.8148 72 E 4.2042 8.2506 112.5182 58.1226 30.0852 178.9587 73 F 4.9421 8.2039 118.1170 59.4721 40.3554 177.4322 74 S 4.2288 8.1714 115.5263 62.0006 62.5806 176.0741 75 A 4.0001 8.0062 124.2509 54.4283 18.3632 177.6324 76 P 4.2465 0.0000 0.0000 65.6914 31.0873 178.4373 77 F 3.8763 7.5640 119.9022 61.0293 39.3530 176.7146 78 R 3.8433 7.8453 116.9212 59.3731 29.9161 177.9944 79 A 4.1445 7.7822 119.5965 54.3486 19.9888 179.0053 80 F 4.3255 7.9452 120.2345 58.5640 35.2289 174.5757 *83 N 4.5616 7.9150 120.5940 53.1463 41.1677 176.2948 84 L 3.9652 7.5584 117.9208 57.5655 41.7755 179.4889 85 K 4.0482 7.7312 116.5237 58.7072 32.2458 178.4328 86 K 4.0803 7.3962 116.2980 58.7671 32.2185 177.0248 87 Q 4.1317 7.5925 122.3305 56.1014 28.5080 175.8497 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 0 G 8.34 3.79 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 0.00 0.00 0.00 *2 G 7.67 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 0.00 0.00 0.00 3 N 9.27 5.03 0.00 2.75 2.39 0.00 0.00 6.63 7.87 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 4 I 7.96 4.63 1.73 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 1.26 0.41 0.87 0.00 0.00 5 Y 9.21 4.85 0.00 2.88 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 6 Q 8.79 4.92 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.70 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 7 I 8.45 4.38 0.56 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 0.79 0.51 0.75 0.00 0.00 8 T 8.43 5.03 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 1.27 0.00 0.00 9 V 9.07 4.59 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 1.12 0.00 0.00 1.00 0.00 0.00 10 E 8.69 5.18 0.00 1.97 1.88 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 2.17 2.31 0.00 11 E 9.11 4.08 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 2.34 2.31 0.00 12 K 9.02 3.92 0.00 1.73 1.88 0.00 1.57 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.50 7.81 13 A 7.57 4.82 1.22 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 0.00 0.00 14 E 8.53 3.72 0.00 2.15 1.12 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 2.13 1.88 0.00 15 H 9.19 4.41 0.00 3.33 3.38 0.00 5.82 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 16 Q 7.74 4.10 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.45 0.00 17 R 8.35 4.42 0.00 1.89 1.86 0.00 3.06 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 18 T 8.32 5.36 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 1.23 0.00 0.00 19 L 9.05 4.97 0.00 1.79 1.79 1.22 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.71 5.31 0.00 3.87 3.76 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 21 F 8.88 5.13 0.00 3.13 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 22 E 8.98 4.94 0.00 2.19 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 0.00 2.35 2.49 0.00 23 F 9.65 5.16 0.00 3.32 3.01 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 24 S 7.65 5.20 0.00 3.74 3.41 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 25 L 8.93 4.72 0.00 1.76 1.55 0.77 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 26 H 8.65 4.93 0.00 3.16 3.52 0.00 5.64 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.70 4.83 0.00 2.62 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.48 4.71 0.00 2.78 2.65 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 29 L 9.16 3.87 0.00 1.54 1.43 0.71 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 30 F 8.57 3.99 0.00 3.22 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 31 K 8.65 4.05 0.00 2.19 1.98 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.48 7.81 32 L 8.20 3.97 0.00 1.97 1.77 0.90 0.51 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 33 L 8.20 3.96 0.00 1.79 1.65 0.56 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.86 3.99 0.00 2.17 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 2.40 2.60 0.00 35 K 7.82 4.07 0.00 1.85 2.10 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.49 7.81 36 V 7.97 4.03 2.12 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 0.75 0.00 0.00 1.02 0.00 0.00 37 D 7.25 4.42 0.00 2.79 2.78 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 0.00 0.00 0.00 38 G 8.92 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 0.00 0.00 0.00 39 K 8.00 4.32 0.00 1.90 1.81 0.00 1.89 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.39 1.35 7.81 *41 D 7.74 4.24 0.00 2.61 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.16 4.17 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 44 P 0.00 4.29 0.00 2.19 2.16 0.00 3.60 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 2.12 2.16 0.00 45 E 8.09 4.00 0.00 1.97 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 2.31 1.97 0.00 46 Q 7.78 4.26 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 47 T 7.95 4.02 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 1.29 0.00 0.00 48 Q 7.86 4.06 0.00 2.22 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 49 A 8.07 4.21 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 50 F 8.24 4.46 0.00 3.17 3.30 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 *52 V 7.73 3.83 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 0.85 0.00 0.00 0.84 0.00 0.00 53 G 8.31 3.67 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 0.00 0.00 0.00 54 L 7.99 3.90 0.00 1.65 1.43 1.18 0.66 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 55 K 7.84 3.95 0.00 1.75 1.82 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.38 7.81 56 L 8.01 4.10 0.00 1.92 1.67 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.28 4.44 0.00 2.99 3.11 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 0.00 0.00 0.00 0.00 58 G 7.64 3.33 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 59 E 7.96 4.22 0.00 2.19 2.55 0.00 0.00 0.00 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 2.48 0.00 60 V 7.35 3.99 2.22 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 0.99 0.00 0.00 1.07 0.00 0.00 *63 Q 7.92 4.41 0.00 2.36 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 7.29 0.00 0.00 0.00 0.00 0.00 2.30 2.68 0.00 64 Q 7.88 4.85 0.00 2.54 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.74 0.00 0.00 0.00 0.00 0.00 2.50 2.64 0.00 65 R 8.60 3.96 0.00 1.82 2.04 0.00 3.27 0.00 0.00 3.30 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 66 K 8.01 4.25 0.00 1.82 1.70 0.00 1.87 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 0.99 7.81 67 H 8.30 4.24 0.00 3.34 3.13 0.00 5.56 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.29 0.00 2.06 2.10 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 69 L 7.82 3.83 0.00 0.27 0.54 0.48 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 70 F 8.07 5.26 0.00 3.09 2.95 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 71 K 8.70 3.99 0.00 1.81 1.95 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.17 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.72 7.81 72 E 8.25 4.20 0.00 1.99 1.87 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 2.23 1.86 0.00 73 F 8.20 4.94 0.00 3.06 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 74 S 8.17 4.23 0.00 4.16 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 75 A 8.01 4.00 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 76 P 0.00 4.25 0.00 2.27 2.38 0.00 3.73 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 77 F 7.56 3.88 0.00 2.17 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 78 R 7.85 3.84 0.00 1.98 2.05 0.00 3.32 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 79 A 7.78 4.14 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 80 F 7.95 4.33 0.00 3.14 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 *83 N 7.92 4.56 0.00 2.79 2.80 0.00 0.00 7.07 6.66 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 84 L 7.56 3.97 0.00 1.46 1.56 0.59 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 85 K 7.73 4.05 0.00 1.66 1.81 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.34 7.81 86 K 7.40 4.08 0.00 1.90 1.84 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.36 7.81 87 Q 7.59 4.13 0.00 2.03 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 * Residues marked with a * may have inaccurate shift predictions.