NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -8 S 4.2416 8.3344 116.7850 58.4398 65.2680 173.6786 -7 D 5.1916 7.4856 124.8790 51.4594 40.7752 174.4445 -6 P 4.0463 0.0000 0.0000 65.5760 32.2271 177.8163 -5 S 4.8704 7.9837 111.0997 58.7738 62.9809 174.6268 -4 S 4.7458 8.3328 116.3166 58.2304 64.1040 176.0110 -3 I 4.3343 7.7568 123.1076 63.4535 37.4023 177.6108 -2 N 5.0560 7.6214 115.9304 52.1895 39.6439 176.3077 -1 G 4.1573 7.8780 104.9252 44.8482 0.0000 172.1214 -7 G 4.5116 7.4756 113.2790 42.3594 0.0000 173.0445 -6 I 3.7963 9.2791 128.6246 63.3760 38.9271 176.9162 -5 V 4.5204 7.7037 114.5997 62.6738 32.0809 176.3268 -4 V 4.3958 8.0528 119.8166 62.1304 33.2040 177.7110 -3 A 4.4843 7.9968 127.0076 54.8535 17.7023 179.0108 -2 M 4.7960 7.5014 116.8304 54.4895 33.6439 177.4077 -1 T 4.5473 7.6980 109.7252 61.5482 67.8046 171.9214 8 G 3.8309 8.3668 111.3418 44.5567 0.0000 172.1974 9 K 4.0436 8.7002 123.6096 56.5567 31.4409 177.0716 10 D 4.4412 8.6181 127.9581 54.5608 38.6230 173.1993 11 C 4.6792 7.5158 110.3878 57.7946 32.2868 172.3255 12 V 4.9967 7.8293 111.5823 59.9517 35.3011 174.4171 13 A 4.7149 8.4146 123.5657 50.2140 22.1161 175.3659 14 I 5.0920 8.1306 119.8597 59.4405 40.9686 174.0511 15 A 4.9488 8.5091 129.4533 50.8212 22.4818 174.3276 16 C 5.3391 8.2759 112.3877 57.3575 32.5671 173.4614 17 D 4.7141 8.5639 120.3238 53.0520 40.8299 175.7802 18 L 5.0268 8.0693 115.5167 53.5838 43.3178 176.9168 19 R 4.5143 8.0193 119.7485 56.4494 31.3138 175.9203 20 L 4.3889 8.6639 126.7923 54.1122 45.1119 174.6929 21 G 4.6121 8.5814 113.3404 44.5395 0.0000 171.7010 22 S 4.6324 8.6575 113.2249 56.9835 63.8038 174.7299 23 Q 3.5031 8.2621 129.8740 56.7424 26.7470 177.3340 24 S 4.1894 8.7505 120.6817 61.3105 63.3768 174.0116 25 L 4.1434 7.7807 124.7276 54.1293 42.1554 175.7411 26 G 4.0424 8.6114 115.8378 45.2468 0.0000 172.4988 27 V 4.1160 8.5927 124.0207 63.7783 32.9819 175.9031 28 S 4.7333 7.6977 112.9375 56.5264 65.2261 173.2078 29 N 5.2003 8.8485 122.8540 52.7256 37.3614 174.6725 30 K 4.5911 8.0524 114.7543 56.6920 34.3092 176.8040 31 F 4.5223 8.4626 124.9826 57.5307 38.9554 174.3602 32 E 4.0515 8.2011 124.5620 55.5926 30.4318 176.6711 33 K 4.2323 8.2932 120.2127 55.9026 34.1599 175.0906 34 I 4.7620 7.0383 120.4430 59.4681 39.8703 174.7134 35 F 4.9950 9.3109 123.9815 56.0974 44.0457 173.1545 36 H 4.9320 7.4057 113.5430 53.4491 31.7785 172.4520 *38 Y 4.7897 7.9322 116.7106 58.7129 39.1372 175.3435 39 G 3.9230 8.1807 116.7013 47.3825 0.0000 173.0645 40 H 4.7558 8.9587 120.4072 54.9361 28.9142 174.1570 41 V 4.2523 7.4738 121.4071 61.7955 33.0968 174.4950 42 F 5.0243 9.4298 126.7873 55.6478 41.7864 174.4341 43 L 5.3363 9.4310 124.5566 53.3626 45.2723 175.1706 44 G 4.5629 9.5795 113.5073 44.5741 0.0000 172.1365 45 I 5.1846 8.9128 124.1291 59.6684 40.9967 174.9866 46 T 4.5205 8.3030 115.5394 59.9366 71.8610 172.0855 47 G 4.1369 8.8378 105.0548 43.9127 0.0000 173.4372 48 L 4.1676 8.8865 124.1747 54.8673 42.7812 178.2220 49 A 4.1610 10.1569 128.5209 55.8903 18.2451 179.1110 50 T 3.8428 7.9698 110.8066 65.5285 67.3310 175.7725 51 D 4.4708 8.1825 120.2459 56.7751 41.1224 178.7264 52 V 3.6927 7.9270 119.1056 66.4263 31.6457 178.2890 53 T 3.9100 8.2524 115.4741 66.9566 68.3001 176.9738 54 T 3.7945 7.9784 117.6583 66.5695 68.3476 176.8286 55 L 3.4505 7.9484 121.2171 57.3805 41.5513 179.0490 56 N 4.3088 7.7079 118.0916 56.2064 38.7859 176.8545 57 E 3.9439 7.9162 119.9035 59.4026 29.4155 179.0945 58 M 3.7376 7.7566 118.3271 58.6521 32.2535 178.3999 59 F 4.3165 7.9417 118.0221 60.0041 38.9835 177.8983 60 R 3.8355 8.0870 118.8100 59.4399 29.8133 177.6430 61 Y 4.0342 7.9779 119.3389 61.0257 38.7796 178.5640 62 K 4.2766 8.5211 119.5561 59.5515 32.1902 179.5010 63 T 4.0539 8.2234 110.1262 64.3913 68.8666 176.7780 64 N 4.3535 8.2336 119.7735 56.2533 38.6059 177.3446 65 L 3.9713 7.7118 120.4575 57.7799 41.6774 178.6841 66 Y 4.0266 8.1937 119.5617 60.7629 38.6008 178.3357 67 K 4.3617 8.2081 121.6418 59.1297 32.1140 178.7146 68 L 3.9657 7.6492 117.8061 57.5630 41.5497 179.2664 69 K 4.1234 7.7978 117.4008 59.0558 32.3976 178.7677 70 E 3.9643 8.2204 117.6617 56.3095 29.7593 176.4096 71 E 3.8493 8.6876 117.5187 56.7061 27.2843 174.1726 72 R 4.4806 7.3485 110.7056 55.2422 31.8471 173.6474 73 A 4.2994 8.5151 122.6268 51.5904 19.2501 177.6059 74 I 3.6876 8.1311 121.7077 61.0192 38.7459 176.1143 75 E 4.5142 8.3602 125.7244 54.4397 32.2755 175.8141 76 P 4.2997 0.0000 0.0000 66.1026 31.3007 178.7972 77 E 3.9980 8.1932 116.5546 59.8190 29.4252 179.5452 78 T 3.8914 7.8353 115.1313 66.6522 68.5635 176.4674 79 F 4.0971 8.4871 122.8462 61.4773 39.3335 177.2674 80 T 3.6274 8.0113 115.4799 66.6846 68.1862 176.6553 81 Q 3.9656 7.7974 120.1004 58.7108 28.6922 178.5210 82 L 3.9021 7.6677 121.5883 57.8243 41.9729 179.2697 83 V 3.3410 7.4061 118.4918 65.8083 31.4119 177.7334 84 S 4.0830 7.8342 113.1212 61.6831 62.0881 176.4784 85 S 4.2012 8.2478 116.7448 61.5025 62.5286 176.5560 86 S 4.1794 8.0300 118.1829 61.2097 62.8501 176.3066 87 L 4.2568 8.3571 122.1517 57.9519 41.6007 178.8032 88 Y 3.8946 8.2706 119.1945 60.1380 38.4276 177.4591 89 E 4.0631 7.8992 119.4900 57.9594 30.0375 177.0041 90 R 4.4363 7.5937 118.5519 55.1569 30.9539 178.0631 91 R 3.1990 7.0469 120.4216 59.0177 29.8048 176.8473 92 F 4.8290 7.5016 112.3107 57.0961 39.7510 176.7286 93 G 4.1270 7.6118 109.4533 43.3712 0.0000 171.8875 94 P 4.0114 0.0000 0.0000 62.5386 32.3189 175.8706 95 Y 4.2211 7.7745 117.3567 57.8433 39.0355 176.7449 96 F 4.7706 8.9966 124.8479 56.4003 37.5644 174.7130 97 V 5.0001 7.8327 114.0072 59.6704 36.5237 176.0999 98 G 4.1905 8.8546 108.4792 43.6400 0.0000 170.3270 99 P 4.9788 0.0000 0.0000 63.0544 33.0057 175.9097 100 V 4.4545 8.9691 122.1059 61.4904 34.9721 173.8128 101 V 5.1223 8.6251 127.2432 61.2706 33.7223 174.4867 102 A 4.7667 9.5956 128.3968 49.6447 22.8943 175.5953 103 G 4.2638 7.7239 107.5600 46.6583 0.0000 171.5983 104 I 4.6455 7.9934 119.9275 58.8952 39.9048 175.5711 105 N 5.1429 8.9146 121.9702 53.4824 38.6929 174.2224 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 -8 S 8.33 4.24 0.00 3.84 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 -7 D 7.49 5.19 0.00 2.75 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 -6 P 0.00 4.05 0.00 1.20 1.42 0.00 3.26 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 0.69 1.59 0.00 -5 S 7.98 4.87 0.00 4.07 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 -4 S 8.33 4.75 0.00 3.79 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 -3 I 7.76 4.33 1.84 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 1.46 0.66 0.88 0.00 0.00 -2 N 7.62 5.06 0.00 2.77 2.77 0.00 0.00 7.60 7.58 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 -1 G 7.88 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 -7 G 7.48 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.28 3.80 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 1.41 0.96 0.91 0.00 0.00 -5 V 7.70 4.52 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 1.04 0.00 0.00 0.93 0.00 0.00 -4 V 8.05 4.40 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 0.78 0.00 0.00 0.93 0.00 0.00 -3 A 8.00 4.48 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 -2 M 7.50 4.80 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.48 0.00 -1 T 7.70 4.55 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 8 G 8.37 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.70 4.04 0.00 1.70 1.76 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.51 7.81 10 D 8.62 4.44 0.00 2.83 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 11 C 7.52 4.68 0.00 3.01 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 12 V 7.83 5.00 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 0.70 0.00 0.00 0.88 0.00 0.00 13 A 8.41 4.71 1.11 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 0.00 0.00 14 I 8.13 5.09 1.81 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.84 0.75 0.00 0.00 15 A 8.51 4.95 1.14 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 0.00 0.00 16 C 8.28 5.34 0.00 3.03 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 17 D 8.56 4.71 0.00 2.82 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 18 L 8.07 5.03 0.00 1.61 1.82 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.02 4.51 0.00 1.85 1.86 0.00 3.23 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 20 L 8.66 4.39 0.00 1.57 1.52 0.74 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.58 4.61 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 0.00 0.00 0.00 22 S 8.66 4.63 0.00 3.74 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 23 Q 8.26 3.50 0.00 2.23 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 24 S 8.75 4.19 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 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 7.78 4.14 0.00 1.72 1.73 0.92 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.61 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 0.00 0.00 0.00 0.00 27 V 8.59 4.12 2.18 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 0.76 0.00 0.00 0.96 0.00 0.00 28 S 7.70 4.73 0.00 3.85 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 29 N 8.85 5.20 0.00 2.86 2.87 0.00 0.00 5.89 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 30 K 8.05 4.59 0.00 1.70 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.38 1.38 7.81 31 F 8.46 4.52 0.00 3.20 3.14 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 32 E 8.20 4.05 0.00 1.62 1.61 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 2.22 2.40 0.00 33 K 8.29 4.23 0.00 1.59 1.96 0.00 1.65 0.00 0.00 1.92 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.39 1.48 7.81 34 I 7.04 4.76 1.71 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 1.27 0.47 1.04 0.00 0.00 35 F 9.31 4.99 0.00 2.69 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 36 H 7.41 4.93 0.00 1.91 1.51 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 Y 7.93 4.79 0.00 2.70 2.83 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 0.00 0.00 0.00 0.00 39 G 8.18 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.96 4.76 0.00 3.35 3.41 0.00 5.52 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.47 4.25 1.77 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 0.72 0.00 0.00 0.71 0.00 0.00 42 F 9.43 5.02 0.00 3.16 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 43 L 9.43 5.34 0.00 2.06 1.77 1.12 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.58 4.56 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 0.00 0.00 0.00 45 I 8.91 5.18 2.12 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.02 1.05 0.00 0.00 46 T 8.30 4.52 4.32 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 1.27 0.00 0.00 47 G 8.84 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 0.00 0.00 0.00 48 L 8.89 4.17 0.00 1.91 1.75 0.99 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 49 A 10.16 4.16 1.08 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 0.00 0.00 50 T 7.97 3.84 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 1.30 0.00 0.00 51 D 8.18 4.47 0.00 3.06 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 52 V 7.93 3.69 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 1.35 0.00 0.00 1.24 0.00 0.00 53 T 8.25 3.91 4.45 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 54 T 7.98 3.79 4.12 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 0.00 0.00 1.08 0.00 0.00 55 L 7.95 3.45 0.00 1.65 1.68 0.86 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 56 N 7.71 4.31 0.00 1.53 2.40 0.00 0.00 6.89 7.11 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 57 E 7.92 3.94 0.00 2.12 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 2.30 2.34 0.00 58 M 7.76 3.74 0.00 1.52 1.63 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 59 F 7.94 4.32 0.00 2.94 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 60 R 8.09 3.84 0.00 2.17 2.14 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 61 Y 7.98 4.03 0.00 3.14 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 62 K 8.52 4.28 0.00 1.99 1.98 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.59 1.66 7.81 63 T 8.22 4.05 4.17 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 0.96 0.00 0.00 64 N 8.23 4.35 0.00 2.97 2.85 0.00 0.00 6.87 6.53 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 65 L 7.71 3.97 0.00 1.70 1.73 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 8.19 4.03 0.00 3.18 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 67 K 8.21 4.36 0.00 2.13 1.99 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.57 7.81 68 L 7.65 3.97 0.00 1.85 1.70 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.80 4.12 0.00 1.60 1.76 0.00 1.66 0.00 0.00 1.67 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.57 7.81 70 E 8.22 3.96 0.00 1.60 1.74 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 1.69 1.47 0.00 71 E 8.69 3.85 0.00 2.08 2.05 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 2.22 2.19 0.00 72 R 7.35 4.48 0.00 1.99 2.00 0.00 3.03 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 73 A 8.52 4.30 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.13 3.69 1.06 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.07 0.65 0.00 0.00 75 E 8.36 4.51 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 76 P 0.00 4.30 0.00 2.19 2.16 0.00 3.65 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 77 E 8.19 4.00 0.00 2.08 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 2.42 2.49 0.00 78 T 7.84 3.89 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 1.22 0.00 0.00 79 F 8.49 4.10 0.00 3.01 3.14 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 80 T 8.01 3.63 4.40 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 1.16 0.00 0.00 81 Q 7.80 3.97 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 82 L 7.67 3.90 0.00 1.70 1.55 0.99 1.02 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 83 V 7.41 3.34 1.82 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 0.87 0.00 0.00 -0.49 0.00 0.00 84 S 7.83 4.08 0.00 3.95 3.97 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 85 S 8.25 4.20 0.00 4.11 4.11 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 86 S 8.03 4.18 0.00 4.25 3.97 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 87 L 8.36 4.26 0.00 1.89 1.76 0.98 1.17 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 88 Y 8.27 3.89 0.00 3.15 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 89 E 7.90 4.06 0.00 2.12 2.16 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 2.28 2.33 0.00 90 R 7.59 4.44 0.00 1.69 1.67 0.00 2.99 0.00 0.00 2.86 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.00 91 R 7.05 3.20 0.00 0.67 0.98 0.00 2.68 0.00 0.00 2.34 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 92 F 7.50 4.83 0.00 3.00 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 93 G 7.61 4.13 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 0.00 94 P 0.00 4.01 0.00 1.82 1.79 0.00 3.56 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.79 0.00 95 Y 7.77 4.22 0.00 2.92 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 96 F 9.00 4.77 0.00 3.09 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 97 V 7.83 5.00 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 0.82 0.00 0.00 1.02 0.00 0.00 98 G 8.85 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 0.00 0.00 0.00 0.00 99 P 0.00 4.98 0.00 1.97 2.05 0.00 3.69 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 2.09 2.18 0.00 100 V 8.97 4.45 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 0.78 0.00 0.00 0.97 0.00 0.00 101 V 8.63 5.12 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 1.07 0.00 0.00 1.02 0.00 0.00 102 A 9.60 4.77 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 G 7.72 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.99 4.65 1.91 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 1.31 0.73 0.93 0.00 0.00 105 N 8.91 5.14 0.00 2.71 2.74 0.00 0.00 7.19 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.