NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3516 8.1593 117.3751 62.5763 69.9289 173.5412 2 P 4.2589 0.0000 0.0000 62.6588 31.9082 174.7619 3 Q 4.4301 8.3079 118.3591 56.0447 30.6272 175.6321 4 N 4.8071 7.3085 114.6513 50.7601 40.1454 174.9643 5 I 3.7046 8.2892 116.9520 64.4053 37.9049 177.7166 6 T 3.8285 7.8678 116.1764 66.8780 68.1533 176.2392 7 D 4.3939 8.1984 119.4886 56.9517 40.9795 178.2724 8 L 4.1478 7.7756 120.6466 58.4144 42.1703 178.2704 9 C 4.2685 8.5742 118.5141 59.4935 43.3412 174.9303 10 A 4.0078 7.7041 120.1113 53.8149 18.1819 178.6825 11 E 3.9717 7.9384 116.2031 56.9318 29.8559 176.2674 12 Y 4.7977 7.1934 116.7159 55.9002 40.2185 175.3935 13 H 4.5377 9.0488 119.5214 56.4186 29.9738 174.5713 14 N 4.7383 8.7222 115.9162 54.8652 36.1625 173.8282 15 T 5.2012 7.1462 105.9034 60.4098 71.8731 173.5074 16 Q 4.6656 8.3994 118.4678 55.0228 32.3507 173.5073 17 I 4.4231 8.3278 122.3522 61.4291 38.4124 174.8009 18 H 4.7158 9.1585 124.8067 54.5381 30.6927 174.0273 19 T 4.6173 8.4845 121.0125 62.5609 68.5628 174.0780 20 L 4.0797 8.2542 127.1800 54.3632 43.4019 177.6324 21 N 4.1516 7.8049 115.2627 53.5717 36.1306 172.4827 22 D 4.7953 7.8088 118.6652 52.3541 45.2410 174.4500 23 K 5.0097 8.4271 122.2663 55.9406 33.3906 176.8592 24 I 3.1064 8.1789 121.8625 61.2860 37.5914 175.9679 25 F 4.5937 8.6353 129.1955 60.9302 39.7835 175.4529 26 S 4.2642 7.8167 112.5319 56.5294 66.7180 172.0794 27 Y 4.6381 7.5568 122.3176 56.1057 40.8590 174.5548 28 T 4.4963 8.0414 123.1256 61.8133 71.9718 172.9594 29 E 4.9744 8.1619 123.7250 54.9561 33.1963 174.0902 30 S 4.7569 9.0051 120.4435 56.3143 65.9803 173.9629 31 L 4.6286 8.5260 124.5332 55.1779 41.0114 176.3901 32 A 4.1268 7.8332 122.9185 51.8197 18.8941 177.8368 33 G 3.8517 8.4654 110.1129 46.8953 0.0000 174.0557 34 K 3.9932 9.1354 121.8024 56.9961 29.9498 175.9953 35 R 4.7041 7.9906 117.5911 55.7848 31.0517 176.8644 36 E 4.9526 8.3018 118.8508 54.9586 29.2472 176.2217 37 M 4.9825 8.0581 120.5635 53.8174 35.7997 173.3726 38 A 5.0743 8.3668 118.5967 50.3806 23.3210 175.6121 39 I 4.8746 8.1791 119.8877 60.2657 41.5473 174.5534 40 I 4.9839 8.9645 121.7062 59.4734 40.6422 174.5626 41 T 5.8708 8.2811 112.5203 59.1315 72.7663 172.2132 42 F 5.2234 8.3971 118.6833 55.8097 43.1096 177.0333 43 K 3.6195 9.0243 120.2790 59.7825 31.8465 177.6898 44 N 4.4973 8.0651 112.1249 53.2605 37.4270 175.5363 45 G 3.8719 8.4385 108.2117 44.9761 0.0000 174.0906 46 A 3.8560 7.9084 121.4872 53.1654 19.2614 176.7421 47 T 4.8667 7.7130 118.0810 61.7166 71.9162 173.4361 48 F 5.4603 9.0684 123.4748 55.9866 43.8475 173.5084 49 Q 5.0043 8.9424 117.5150 54.5865 32.0341 174.1137 50 V 4.3385 8.3635 121.9540 62.0567 32.6820 175.4704 51 E 4.5263 8.8378 127.1890 55.5738 30.4195 176.9176 52 V 3.9656 8.3008 122.5095 62.1662 32.3440 173.8528 53 P 4.5464 0.0000 0.0000 63.2269 31.8114 174.9801 54 G 3.8484 8.0254 116.7358 44.6817 0.0000 173.4275 55 S 4.1623 8.6553 116.3149 60.8418 63.1868 175.0126 56 Q 4.1240 7.7672 116.1866 56.9460 28.9369 175.1325 57 H 5.2306 7.6921 116.2716 53.0493 31.0144 174.2916 58 I 4.1758 8.2767 117.7399 60.0375 39.1244 176.6808 59 D 4.3700 8.6850 120.0162 57.5427 40.1823 179.0887 60 S 4.1914 8.1318 114.2284 61.5342 62.6528 176.2028 61 Q 4.0814 7.9581 122.6681 58.7540 28.7321 178.1906 62 K 4.0053 7.8884 119.4762 58.9663 32.1351 179.0036 63 K 3.8431 8.1077 119.3271 59.7251 32.1690 178.4439 64 A 4.1654 7.7258 118.9148 54.4023 18.3352 179.7646 65 I 3.6836 7.6842 119.0298 64.6599 37.2025 178.3013 66 E 4.0143 8.0230 119.0164 59.4303 29.1529 179.4838 67 R 4.0752 7.9381 118.3709 59.5340 30.0710 178.2872 68 M 4.0463 8.1002 118.1978 58.5421 32.3372 178.3796 69 K 4.1669 8.1509 118.6949 59.3706 32.1669 179.1006 70 D 4.3245 7.9217 118.8472 57.7107 40.7667 178.9141 71 T 3.8488 8.1259 116.3528 66.7278 68.4873 176.8335 72 L 4.0518 8.3649 121.3184 57.5357 41.7207 179.5361 73 R 2.5534 7.6423 118.4397 59.1443 30.0393 178.4958 74 I 3.7310 7.6147 117.7180 63.4235 37.7970 177.5193 75 A 4.2265 8.0969 123.3919 54.1872 18.1395 178.9495 76 Y 3.9976 8.0259 118.2647 60.9169 38.6806 178.3145 77 L 3.5593 7.4732 118.7217 57.6879 41.9415 179.2725 78 T 3.8872 8.0341 109.0640 62.2239 68.6266 174.3837 79 E 3.6932 7.5033 120.0729 57.2112 27.5358 174.3565 80 A 4.2536 7.5398 120.1974 51.4151 20.1161 178.0783 81 K 4.1620 8.7355 123.3327 56.5692 33.7728 175.6845 82 V 3.9652 8.5472 127.8243 61.3882 32.5778 175.1898 83 E 4.4069 9.0370 130.7840 57.8969 29.5800 176.0909 84 K 5.0893 8.5146 117.3816 54.5921 37.5330 174.5769 85 L 4.9119 8.3017 122.1273 52.9871 44.6428 174.8525 86 C 4.6218 8.6225 124.7284 56.1371 41.8775 172.7700 87 V 4.8497 8.1264 118.0891 59.2230 36.1451 174.4411 88 W 5.0528 9.4511 123.1923 55.6554 30.2717 176.5888 89 N 4.5835 8.6304 121.7330 52.4646 37.4657 175.1877 90 N 4.7755 8.2911 114.9061 53.1856 37.7233 174.3967 91 K 4.7479 7.7233 116.8896 55.1116 36.0246 175.2953 92 T 4.7088 8.1457 113.8016 59.7273 69.9570 171.9435 93 P 4.5312 0.0000 0.0000 62.3388 32.7589 175.8185 94 H 4.4112 9.0068 118.0113 57.0650 29.8382 173.9490 95 A 5.1043 8.9352 125.0572 51.0653 20.5017 176.3260 96 I 4.2531 8.6358 123.7042 61.2631 37.2441 175.8910 97 A 4.4581 8.3324 128.0754 52.6693 20.7058 176.4015 98 A 4.4464 7.1687 114.2234 51.2504 22.4526 175.2015 99 I 5.1121 8.2279 119.0294 59.2169 41.8218 174.5473 100 S 4.7884 9.0618 121.2674 56.7769 66.2261 172.5119 101 M 5.2780 8.5939 121.8659 53.6248 34.3928 174.7896 102 A 4.6309 8.2626 124.4365 51.2861 22.9942 176.6922 *103 N 4.4903 8.6693 116.0432 52.6121 37.7719 175.8094 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 1 T 8.16 4.35 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 1.22 0.00 0.00 2 P 0.00 4.26 0.00 2.42 2.07 0.00 3.77 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 2.01 2.09 0.00 3 Q 8.31 4.43 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.72 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 4 N 7.31 4.81 0.00 2.89 2.89 0.00 0.00 5.87 7.27 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 5 I 8.29 3.70 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.87 0.00 0.00 6 T 7.87 3.83 4.39 0.00 0.00 0.00 0.00 0.00 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 7 D 8.20 4.39 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 8 L 7.78 4.15 0.00 1.87 1.83 0.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.57 4.27 0.00 3.13 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 10 A 7.70 4.01 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 11 E 7.94 3.97 0.00 1.62 1.55 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 2.25 2.49 0.00 12 Y 7.19 4.80 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 9.05 4.54 0.00 3.39 3.46 0.00 5.61 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.72 4.74 0.00 2.97 2.96 0.00 0.00 6.56 7.05 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 15 T 7.15 5.20 4.06 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 0.00 0.00 0.93 0.00 0.00 16 Q 8.40 4.67 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.03 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 17 I 8.33 4.42 1.85 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 1.30 0.78 0.87 0.00 0.00 18 H 9.16 4.72 0.00 2.92 3.15 0.00 5.79 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.48 4.62 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 1.22 0.00 0.00 20 L 8.25 4.08 0.00 1.40 1.32 0.67 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.80 4.15 0.00 2.81 2.92 0.00 0.00 6.54 8.08 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 22 D 7.81 4.80 0.00 2.91 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 23 K 8.43 5.01 0.00 1.94 1.86 0.00 1.26 0.00 0.00 0.76 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.53 1.51 7.81 24 I 8.18 3.11 2.02 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.47 0.91 0.00 0.00 25 F 8.64 4.59 0.00 3.08 3.13 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.82 4.26 0.00 3.81 3.68 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 27 Y 7.56 4.64 0.00 2.50 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 28 T 8.04 4.50 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 1.07 0.00 0.00 29 E 8.16 4.97 0.00 1.77 1.75 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 2.21 2.34 0.00 30 S 9.01 4.76 0.00 3.86 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 31 L 8.53 4.63 0.00 1.74 1.71 0.92 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.83 4.13 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 33 G 8.47 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 0.00 0.00 0.00 34 K 9.14 3.99 0.00 1.90 1.96 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.50 7.81 35 R 7.99 4.70 0.00 1.81 1.83 0.00 3.30 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 36 E 8.30 4.95 0.00 1.97 1.91 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 2.38 2.21 0.00 37 M 8.06 4.98 0.00 2.03 2.26 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.68 0.00 38 A 8.37 5.07 1.18 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 0.00 0.00 39 I 8.18 4.87 1.74 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.50 0.88 0.00 0.00 40 I 8.96 4.98 1.83 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.20 1.04 0.00 0.00 41 T 8.28 5.87 4.30 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 1.21 0.00 0.00 42 F 8.40 5.22 0.00 3.21 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 43 K 9.02 3.62 0.00 1.81 1.83 0.00 1.82 0.00 0.00 2.03 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.39 1.50 7.81 44 N 8.07 4.50 0.00 2.82 2.92 0.00 0.00 6.30 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 45 G 8.44 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.91 3.86 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 47 T 7.71 4.87 4.04 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 1.18 0.00 0.00 48 F 9.07 5.46 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 8.94 5.00 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.93 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 50 V 8.36 4.34 2.13 0.00 0.00 0.00 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 1.01 0.00 0.00 51 E 8.84 4.53 0.00 1.99 1.94 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 2.35 2.24 0.00 52 V 8.30 3.97 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 0.79 0.00 0.00 0.93 0.00 0.00 53 P 0.00 4.55 0.00 2.25 2.12 0.00 3.79 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 54 G 8.03 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 0.00 0.00 0.00 55 S 8.66 4.16 0.00 3.81 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 56 Q 7.77 4.12 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 1.80 2.05 0.00 57 H 7.69 5.23 0.00 3.20 3.19 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.28 4.18 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.66 0.94 0.00 0.00 59 D 8.69 4.37 0.00 2.72 2.77 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 60 S 8.13 4.19 0.00 4.07 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 0.00 61 Q 7.96 4.08 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.85 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 62 K 7.89 4.01 0.00 2.02 1.85 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.48 7.81 63 K 8.11 3.84 0.00 1.83 1.92 0.00 1.72 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.53 7.81 64 A 7.73 4.17 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 65 I 7.68 3.68 2.07 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.82 0.93 0.00 0.00 66 E 8.02 4.01 0.00 2.15 2.02 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 2.56 2.48 0.00 67 R 7.94 4.08 0.00 1.91 2.10 0.00 3.10 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 68 M 8.10 4.05 0.00 2.32 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.66 0.00 69 K 8.15 4.17 0.00 2.08 1.97 0.00 1.78 0.00 0.00 1.69 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.70 7.81 70 D 7.92 4.32 0.00 2.90 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 71 T 8.13 3.85 4.42 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 1.22 0.00 0.00 72 L 8.36 4.05 0.00 1.88 1.93 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.64 2.55 0.00 1.20 1.88 0.00 3.02 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.20 0.00 74 I 7.61 3.73 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 0.93 0.00 0.00 75 A 8.10 4.23 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 76 Y 8.03 4.00 0.00 3.09 3.09 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 0.00 0.00 0.00 0.00 77 L 7.47 3.56 0.00 1.58 1.59 0.92 0.89 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 78 T 8.03 3.89 4.19 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 0.00 0.00 0.00 1.17 0.00 0.00 79 E 7.50 3.69 0.00 2.04 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 2.05 2.22 0.00 80 A 7.54 4.25 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 81 K 8.74 4.16 0.00 1.88 1.91 0.00 1.97 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.49 7.81 82 V 8.55 3.97 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.13 0.00 0.00 83 E 9.04 4.41 0.00 2.11 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 2.28 2.22 0.00 84 K 8.51 5.09 0.00 1.57 1.54 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.29 1.36 7.81 85 L 8.30 4.91 0.00 1.12 1.16 0.18 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 86 C 8.62 4.62 0.00 2.87 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 87 V 8.13 4.85 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 0.36 0.00 0.00 0.88 0.00 0.00 88 W 9.45 5.05 0.00 3.31 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 8.63 4.58 0.00 2.58 2.65 0.00 0.00 7.05 7.38 0.00 0.00 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 N 8.29 4.78 0.00 2.84 2.99 0.00 0.00 5.96 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.72 4.75 0.00 1.80 1.76 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.45 7.81 92 T 8.15 4.71 4.29 0.00 0.00 0.00 0.00 0.00 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 93 P 0.00 4.53 0.00 2.01 2.03 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 94 H 9.01 4.41 0.00 3.42 3.46 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.94 5.10 1.49 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 0.00 0.00 96 I 8.64 4.25 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.67 0.88 0.00 0.00 97 A 8.33 4.46 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 7.17 4.45 1.06 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 0.00 0.00 0.00 0.00 0.00 99 I 8.23 5.11 1.85 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 1.41 1.13 0.91 0.00 0.00 100 S 9.06 4.79 0.00 3.85 3.86 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 0.00 101 M 8.59 5.28 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 102 A 8.26 4.63 1.20 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 *103 N 8.67 4.49 0.00 2.76 2.60 0.00 0.00 6.57 7.56 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 * Residues marked with a * may have inaccurate shift predictions.