NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4949 8.3193 117.1001 57.8728 64.5086 174.4415 6 D 4.7325 7.8747 116.5110 51.9606 40.2335 174.7176 7 K 4.2073 8.5194 120.8535 56.3463 33.9215 178.2861 8 L 3.9056 8.0729 120.9764 56.6499 42.2517 176.3384 9 Y 5.3327 7.3359 114.8053 56.1324 42.3260 174.3785 10 R 5.3777 8.7257 121.6913 54.6396 33.4638 174.6995 11 V 4.9684 8.3676 124.3068 60.0705 34.4485 174.3539 12 E 4.5745 8.2857 118.7382 55.9727 33.2746 174.3298 13 Y 4.7909 8.3664 118.2796 57.0862 39.1351 175.3247 14 A 3.6168 9.0231 126.1980 52.5013 18.7545 178.8256 15 K 3.9191 8.6649 122.8605 58.9069 32.1796 176.6556 16 S 4.6179 7.5777 111.6906 57.0983 66.0884 174.1388 17 G 4.5405 8.5484 106.6177 45.8266 0.0000 174.5712 18 R 4.2472 7.7071 119.4191 56.5813 31.2149 177.0527 19 A 4.1774 7.7965 120.4151 52.3716 19.4754 176.3694 20 S 5.0908 8.4872 117.8173 56.8204 64.8725 173.7618 21 C 4.2973 8.8542 125.8984 59.3051 31.6477 174.8133 22 K 3.7665 8.2234 126.5533 59.0314 31.9168 178.5263 23 K 4.1818 7.9398 119.4044 58.8387 32.7214 177.1484 24 C 4.4332 8.0400 111.5647 57.3424 30.4621 175.2362 25 S 4.1092 8.3298 113.9486 58.5727 62.6959 170.4301 26 E 4.3987 7.7584 122.5161 56.0712 30.6786 176.0656 27 S 4.9258 8.5808 118.7948 58.1731 65.0170 173.3238 28 I 4.3744 8.1561 121.9850 58.8742 38.8440 173.9976 29 P 4.4938 0.0000 0.0000 61.8899 31.9218 175.9872 30 K 4.1898 8.3131 122.2097 57.5746 32.3621 176.8147 31 D 4.8410 9.2522 124.5773 54.6448 40.5610 174.9452 32 S 4.4818 7.5802 113.6621 57.8106 64.6494 173.3333 33 L 4.6142 8.4799 123.9482 55.1456 42.7038 175.7551 34 R 4.8647 8.4496 122.9701 54.6715 33.4166 173.7259 *36 A 5.1387 8.2801 118.2848 52.4803 19.9296 176.4831 37 I 4.9593 8.0566 122.2826 60.5551 39.9609 175.5315 *39 V 4.0320 8.2291 120.1452 61.8037 33.4615 174.8183 40 Q 4.1857 8.3638 123.7214 56.3087 29.5332 175.5150 41 S 4.3681 8.0451 121.7689 56.4088 63.3846 172.1387 42 P 4.3697 0.0000 0.0000 63.0366 31.4158 175.5698 *44 F 4.4513 7.7900 113.7595 57.8306 38.8637 173.6597 45 D 4.4637 8.8487 120.3670 54.4583 40.0643 175.6656 46 G 4.3489 7.3685 118.7915 44.9102 0.0000 170.5053 47 K 4.5499 8.0978 119.9257 56.1478 32.8587 177.0737 48 V 4.7176 8.2625 120.5352 59.5511 34.4145 172.9770 49 P 4.3049 0.0000 0.0000 62.8255 32.6548 175.4264 50 H 4.6279 8.6891 120.3822 54.0894 30.0156 174.2504 51 W 5.0768 8.3385 123.9367 56.4981 30.4544 175.5478 52 Y 5.0272 8.8600 119.6309 55.5737 41.3874 175.8139 53 H 4.4039 8.8051 119.2163 55.9851 30.5135 176.4650 54 F 4.1722 9.0219 124.7248 61.7262 39.4160 177.6331 55 S 4.4058 8.5196 113.3134 61.9572 62.6062 176.0097 56 C 4.2620 8.2608 118.9110 62.3238 27.7229 175.2650 57 F 3.5194 8.4583 122.4149 61.0242 39.0018 177.3124 58 W 4.1484 7.6959 118.0511 59.3423 28.6070 178.6264 59 K 4.0127 7.8594 117.8380 59.3312 31.5480 178.6934 60 V 4.0771 6.9431 108.8028 60.3718 31.9223 174.5845 61 G 3.6335 8.0347 110.0566 45.9543 0.0000 172.6726 62 H 4.8731 8.2032 121.0536 53.6248 32.5317 174.4226 63 S 4.5712 8.5221 118.5028 56.5866 62.6735 171.9492 64 I 4.3856 7.9915 123.3875 59.5566 37.8912 175.9930 65 R 4.1473 8.7150 125.3698 58.0169 31.0563 176.9406 66 H 4.9443 8.3969 114.3356 52.4935 29.0681 171.9987 67 P 4.2097 0.0000 0.0000 65.6201 31.3903 177.8033 68 D 3.3700 7.4587 116.2588 55.5147 39.2045 177.9797 69 V 4.1776 7.4043 111.1126 61.9216 32.9856 177.0498 70 E 4.5871 8.4766 117.6428 56.3435 30.1996 176.1395 71 V 4.4080 7.7381 119.1877 60.5042 31.7231 173.9742 72 D 4.4916 8.5237 127.2921 56.3280 41.1207 177.6407 73 G 4.3464 9.0955 113.6758 46.1448 0.0000 174.7281 74 F 4.0846 8.3203 122.8008 61.1584 39.4656 177.4592 75 S 4.3014 8.1724 113.0759 60.7341 63.3008 174.5155 76 E 4.2804 7.9226 119.2067 56.8964 29.5493 176.4856 77 L 4.6769 7.2065 118.9240 53.5775 42.8065 177.5214 78 R 4.1011 8.7977 120.4358 56.1928 31.8565 177.8303 79 W 4.0650 9.0093 132.0107 60.8171 30.7434 177.4760 80 D 4.5433 8.5734 117.3120 57.9558 40.4989 178.1238 81 D 4.3287 7.8703 118.0885 56.8069 41.0800 178.4696 82 Q 3.3582 7.8869 118.9865 58.9072 28.4932 179.0979 83 Q 3.7149 7.5602 118.8432 58.4629 28.8818 178.3119 84 K 3.8024 7.6897 120.2321 59.2629 32.0145 179.1435 85 V 3.8510 7.9533 118.6294 65.8870 31.6197 177.7552 86 K 3.8526 8.0755 119.3444 59.7077 31.8187 178.8315 87 K 3.9293 7.9174 117.2296 59.7011 32.0719 179.2752 88 T 3.7001 7.7156 115.4483 66.3197 68.0582 176.6818 89 A 3.3737 7.5720 122.0105 55.0368 18.4579 179.3174 90 E 3.9663 7.9107 115.7671 58.6356 29.5809 177.5663 91 A 4.2795 7.2604 124.8867 52.1707 19.0251 176.7640 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 5 S 8.32 4.49 0.00 3.65 3.85 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 6 D 7.87 4.73 0.00 2.79 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 7 K 8.52 4.21 0.00 1.76 1.90 0.00 1.77 0.00 0.00 1.85 0.00 0.00 3.36 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.46 7.81 8 L 8.07 3.91 0.00 0.40 0.62 0.71 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 7.34 5.33 0.00 2.85 2.64 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 0.00 0.00 0.00 0.00 10 R 8.73 5.38 0.00 1.78 1.66 0.00 3.53 0.00 0.00 3.63 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 11 V 8.37 4.97 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 0.91 0.00 0.00 0.96 0.00 0.00 12 E 8.29 4.57 0.00 2.03 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 2.08 1.95 0.00 13 Y 8.37 4.79 0.00 2.90 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 14 A 9.02 3.62 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 0.00 0.00 0.00 0.00 0.00 15 K 8.66 3.92 0.00 1.70 1.87 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.52 7.81 16 S 7.58 4.62 0.00 3.90 3.90 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.55 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.71 4.25 0.00 1.82 1.99 0.00 3.18 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 1.59 1.55 0.00 19 A 7.80 4.18 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 0.00 0.00 0.00 0.00 0.00 20 S 8.49 5.09 0.00 3.75 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 21 C 8.85 4.30 0.00 2.92 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 22 K 8.22 3.77 0.00 0.79 1.63 0.00 1.56 0.00 0.00 1.44 0.00 0.00 2.65 0.00 0.00 2.27 0.00 0.00 0.00 0.00 1.24 1.17 7.81 23 K 7.94 4.18 0.00 1.98 2.06 0.00 1.85 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.50 7.81 24 C 8.04 4.43 0.00 3.19 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 25 S 8.33 4.11 0.00 4.18 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 26 E 7.76 4.40 0.00 2.15 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 2.38 2.30 0.00 27 S 8.58 4.93 0.00 4.10 3.85 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 28 I 8.16 4.37 1.72 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 0.80 0.62 0.81 0.00 0.00 29 P 0.00 4.49 0.00 2.19 1.98 0.00 3.67 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.11 0.00 30 K 8.31 4.19 0.00 1.68 1.71 0.00 1.64 0.00 0.00 1.48 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.59 7.81 31 D 9.25 4.84 0.00 2.83 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 32 S 7.58 4.48 0.00 3.99 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 33 L 8.48 4.61 0.00 1.66 1.60 0.58 0.52 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 34 R 8.45 4.86 0.00 2.06 1.91 0.00 2.21 0.00 0.00 2.55 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.04 0.00 *36 A 8.28 5.14 0.25 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 0.00 0.00 37 I 8.06 4.96 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.28 0.94 0.00 0.00 *39 V 8.23 4.03 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 0.54 0.00 0.00 0.71 0.00 0.00 40 Q 8.36 4.19 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.84 6.92 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 41 S 8.05 4.37 0.00 3.50 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 42 P 0.00 4.37 0.00 2.19 2.07 0.00 3.77 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.92 0.00 *44 F 7.79 4.45 0.00 3.24 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.85 4.46 0.00 2.66 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.37 4.35 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 0.00 47 K 8.10 4.55 0.00 1.73 1.68 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.31 7.81 48 V 8.26 4.72 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 0.69 0.00 0.00 1.03 0.00 0.00 49 P 0.00 4.30 0.00 0.49 1.20 0.00 3.45 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 50 H 8.69 4.63 0.00 3.23 3.25 0.00 5.63 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 W 8.34 5.08 0.00 3.27 3.03 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 52 Y 8.86 5.03 0.00 3.11 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 53 H 8.81 4.40 0.00 3.40 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 F 9.02 4.17 0.00 3.44 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 55 S 8.52 4.41 0.00 4.25 4.35 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 56 C 8.26 4.26 0.00 3.39 3.32 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 57 F 8.46 3.52 0.00 2.90 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 58 W 7.70 4.15 0.00 3.40 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 59 K 7.86 4.01 0.00 1.94 1.90 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.76 7.81 60 V 6.94 4.08 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 0.69 0.00 0.00 0.29 0.00 0.00 61 G 8.03 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.20 4.87 0.00 3.00 2.95 0.00 5.65 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.52 4.57 0.00 3.85 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 64 I 7.99 4.39 1.99 0.00 0.00 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.95 0.00 0.00 65 R 8.71 4.15 0.00 1.68 1.69 0.00 3.09 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 66 H 8.40 4.94 0.00 3.13 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.21 0.00 1.75 2.08 0.00 3.46 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 2.03 2.13 0.00 68 D 7.46 3.37 0.00 2.67 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 0.00 0.00 0.00 0.00 69 V 7.40 4.18 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 0.78 0.00 0.00 1.01 0.00 0.00 70 E 8.48 4.59 0.00 2.01 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 0.00 2.38 2.58 0.00 71 V 7.74 4.41 2.31 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 1.03 0.00 0.00 1.03 0.00 0.00 72 D 8.52 4.49 0.00 2.88 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 73 G 9.10 4.35 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 0.00 74 F 8.32 4.08 0.00 3.25 3.10 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 75 S 8.17 4.30 0.00 4.11 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 0.00 76 E 7.92 4.28 0.00 2.29 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 2.37 2.36 0.00 77 L 7.21 4.68 0.00 1.35 1.47 0.66 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.80 4.10 0.00 1.95 1.94 0.00 2.83 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 79 W 9.01 4.07 0.00 3.41 3.24 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 80 D 8.57 4.54 0.00 2.98 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 81 D 7.87 4.33 0.00 2.85 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.89 3.36 0.00 1.71 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.83 0.00 0.00 0.00 0.00 0.00 1.63 2.38 0.00 83 Q 7.56 3.71 0.00 1.69 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.79 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 84 K 7.69 3.80 0.00 1.83 1.72 0.00 0.82 0.00 0.00 1.27 0.00 0.00 2.72 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.32 7.81 85 V 7.95 3.85 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 1.41 0.00 0.00 1.21 0.00 0.00 86 K 8.08 3.85 0.00 2.12 1.77 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.43 7.81 87 K 7.92 3.93 0.00 1.86 1.79 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.58 7.81 88 T 7.72 3.70 4.05 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 0.00 0.00 0.00 -0.39 0.00 0.00 89 A 7.57 3.37 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 90 E 7.91 3.97 0.00 1.89 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 2.29 2.34 0.00 91 A 7.26 4.28 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 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.