NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2659 8.3001 120.3408 53.8793 34.6599 175.0267 2 A 3.7922 8.2949 120.8361 52.5196 16.0966 175.1703 3 T 4.1608 8.7648 120.2137 64.7497 70.6529 172.5460 4 S 4.7625 8.4354 111.1114 59.1840 65.3382 176.6350 5 G 3.9994 5.8322 112.8026 46.7045 0.0000 173.4877 6 F 5.4058 8.9100 124.7558 56.0105 42.2231 173.9742 7 K 5.0841 7.9509 126.6475 54.8640 35.1797 174.0879 8 H 4.9585 9.2281 125.7253 54.2849 33.3514 171.7532 9 L 5.5790 8.4529 125.7751 52.1183 46.2847 175.1213 10 V 4.9830 8.4518 123.2568 59.9098 34.9357 174.1291 11 V 4.7756 9.2946 124.6223 61.2804 34.1173 174.7488 12 V 5.4375 8.8276 119.2912 58.9249 36.7916 173.8834 13 K 5.0154 8.5826 121.5851 54.7255 35.8355 174.5305 14 F 5.3686 8.6288 119.6136 55.1200 39.7065 175.3898 15 K 4.3433 8.7081 117.0546 56.8102 34.3595 177.3572 16 E 4.1979 8.8778 118.2940 58.0326 30.4454 175.5684 17 D 5.1830 8.0374 128.9514 54.1206 41.6475 176.2531 18 T 3.7527 7.4183 116.7452 63.8301 68.9010 175.7823 19 K 4.2062 8.2796 127.7146 56.2273 31.4211 177.4835 20 V 3.6687 7.8927 121.7088 65.0070 31.6442 177.5857 21 D 4.3498 7.9868 118.2275 57.4355 40.5853 178.3018 22 E 4.0142 8.0960 118.0639 59.2099 29.8855 178.4282 23 I 4.0310 7.9604 120.2334 64.0950 37.0833 177.7967 24 L 4.0661 8.5202 121.6783 58.4195 41.7931 179.2694 25 K 4.0645 7.9936 118.3572 59.1817 31.6723 179.5564 26 G 3.4809 8.4230 106.4025 47.7891 0.0000 175.3851 27 L 3.7917 7.9451 121.8532 57.5770 41.4162 179.2753 28 E 4.0257 8.0787 116.8505 59.5568 29.6321 178.9159 29 N 4.3589 7.9693 116.6858 56.5241 39.0046 176.3286 30 L 3.8213 9.1087 121.7525 58.5227 41.8142 179.0528 31 V 3.3294 8.7616 118.4418 65.8760 30.9369 177.5722 32 S 4.0537 8.4486 113.3757 61.8025 62.5493 176.1217 33 Q 4.1131 8.3573 119.6814 57.7898 28.2335 177.2792 34 I 4.0488 9.2263 121.4592 61.5455 37.5093 177.6076 35 D 4.3154 7.7198 122.5480 56.4111 39.5109 177.0104 36 T 4.0131 7.9352 112.4418 62.1756 67.4567 174.4844 37 V 3.5606 7.5010 111.6844 62.5185 30.1032 173.7428 38 K 4.7804 7.7291 118.9066 55.4093 32.4410 175.8493 39 S 4.6960 7.0126 112.6251 57.7925 67.2583 174.5823 40 F 4.5342 8.2561 119.5506 56.4042 43.7852 173.6297 41 E 4.8554 7.2818 118.0445 55.3884 33.0313 174.5224 42 W 5.2915 8.8752 122.8924 54.9723 34.0140 174.0697 43 G 4.2612 8.8020 106.2932 45.1268 0.0000 172.0030 44 E 4.9449 7.8955 119.7742 54.6452 34.3759 173.9910 45 D 5.3556 8.4486 122.3158 51.3104 42.2792 177.2971 46 K 4.3080 8.7054 121.0459 56.0732 29.3643 177.3982 47 E 4.5845 7.7575 130.0698 55.5173 30.1284 174.9941 48 S 4.4410 7.2945 119.9842 57.5517 62.9792 173.3338 49 H 4.9593 8.5654 114.6334 53.5590 31.7010 174.4819 50 D 4.7189 8.8589 124.6172 58.3201 40.8012 179.1972 51 M 4.1978 8.0720 116.6363 57.8486 32.1305 177.1848 52 L 4.4981 7.7030 117.4957 55.6027 42.6905 177.9020 53 R 4.1833 9.2147 117.4249 56.0473 29.5241 177.2951 54 Q 3.4269 8.9360 117.4569 56.2779 29.0461 174.9197 55 G 4.2370 8.6893 104.6914 46.5709 0.0000 176.2271 56 F 4.4719 7.4792 115.3386 56.8988 38.4966 175.1635 57 T 4.7403 9.0263 121.9686 64.4189 74.8681 171.3667 58 H 5.4487 8.2264 117.1910 56.5163 33.2526 172.4325 59 A 5.6102 7.2292 123.2394 49.8831 23.5119 174.5992 60 F 4.9075 8.7444 116.3501 56.0401 43.0405 174.7570 61 S 4.8732 8.7745 119.6501 57.6266 64.0190 172.9473 62 M 5.2430 8.7637 125.8387 53.1570 33.7723 175.5864 63 T 5.0842 8.1627 119.9411 61.6884 72.3251 173.1843 64 F 5.3400 9.0805 122.7492 55.5858 42.4271 176.0582 65 E 4.1789 8.9059 120.5186 59.4167 30.2930 175.6707 66 N 4.4889 7.8707 115.3775 51.9698 42.2477 174.2872 67 K 3.8686 8.3015 117.3708 59.3348 31.7958 178.8329 68 D 4.4987 8.2427 119.4742 56.5689 39.0570 178.9070 69 G 3.7530 8.0867 106.8120 47.5172 0.0000 175.1234 70 Y 3.0451 7.4923 121.2963 60.4278 38.6477 178.5482 71 V 3.6713 7.7213 111.6053 63.9889 31.8422 178.1956 72 A 4.0630 7.8819 120.9867 55.0753 18.0883 179.0684 73 F 4.0775 8.2159 118.3344 61.9222 39.6505 177.0325 74 T 3.7556 7.3104 110.6796 64.0519 66.9600 176.4007 75 S 4.3348 7.6884 113.1422 58.6623 62.4908 173.3455 76 H 4.8709 7.5827 119.5290 52.9138 31.4507 172.7512 77 P 4.2014 0.0000 0.0000 64.2821 31.0233 178.1079 78 L 4.5510 7.6738 122.0208 57.7195 42.0122 177.7364 79 H 4.4424 7.5753 118.1164 58.7033 29.7166 177.2076 80 V 3.4767 7.5293 119.9797 65.8415 31.0412 177.5022 81 E 3.9700 7.9130 116.5600 59.5928 29.2550 178.9684 82 F 4.2119 8.0453 120.7616 61.0347 39.3652 177.1099 83 S 4.0602 8.8913 113.1724 61.1412 62.1269 175.9030 84 A 3.9953 8.1122 123.2664 55.2854 18.1497 179.5665 85 A 3.8705 7.6233 118.5383 55.1265 18.2187 179.2952 86 F 3.5878 8.1474 118.9037 61.7055 39.1970 177.2484 87 T 4.1376 7.7622 109.2284 64.2466 68.8410 176.6783 88 A 4.0042 7.5389 124.4586 53.7691 18.3649 178.9348 89 V 4.2008 7.6952 115.5428 60.7347 32.0370 175.4689 90 I 4.6573 8.6803 118.7580 60.0725 40.7409 174.3447 91 D 4.8858 8.8990 121.6328 55.2824 42.5329 176.7182 92 K 4.7736 7.7984 115.6626 55.1545 36.3941 175.0521 93 I 4.7960 8.4864 121.9258 59.3626 40.5675 174.4708 94 V 4.6647 8.8553 128.6452 61.1666 34.6938 174.1477 95 L 5.7972 8.4912 125.9124 52.1833 45.8477 175.5115 96 L 4.6376 8.3548 122.3121 52.8114 44.8002 174.7570 97 D 4.7071 8.3502 122.8522 51.0020 43.9771 174.4799 98 F 5.0422 7.2100 119.1513 54.8067 41.8245 171.4459 99 P 4.8745 0.0000 0.0000 63.0110 32.1229 175.4576 100 V 4.3288 9.3984 124.5242 61.1389 34.1065 174.2739 101 A 4.6241 8.5188 129.7117 49.5711 19.7610 174.6315 102 A 4.5554 8.2859 125.8183 53.1249 16.7298 177.0280 103 V 4.5348 7.6095 111.6244 61.1421 37.4948 177.6335 104 K 3.9238 7.5691 117.9831 59.5018 32.3377 177.2446 105 S 4.3281 7.5733 113.8678 58.4591 60.3778 172.9487 106 S 4.5942 7.7397 117.1261 57.3979 63.2977 173.2418 107 V 4.2990 8.2324 128.8391 61.5320 31.8824 176.1695 108 V 4.4697 7.5597 117.9580 60.7335 34.2412 174.3084 109 A 4.6516 8.2931 124.3682 50.3472 21.8742 176.1650 110 T 3.9298 8.4516 115.2926 61.6000 69.7980 173.4790 *111 P 4.2016 0.0000 0.0000 62.4806 31.4862 177.2296 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 M 8.30 4.27 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.55 0.00 2 A 8.29 3.79 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 3 T 8.76 4.16 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 1.27 0.00 0.00 4 S 8.44 4.76 0.00 4.01 3.55 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 0.00 0.00 0.00 5 G 5.83 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.91 5.41 0.00 3.19 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 7 K 7.95 5.08 0.00 1.92 1.68 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.40 7.81 8 H 9.23 4.96 0.00 3.53 3.23 0.00 5.77 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 9 L 8.45 5.58 0.00 1.71 1.37 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.45 4.98 2.19 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 1.12 0.00 0.00 1.22 0.00 0.00 11 V 9.29 4.78 1.63 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 0.16 0.00 0.00 0.80 0.00 0.00 12 V 8.83 5.44 2.33 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 1.27 0.00 0.00 1.24 0.00 0.00 13 K 8.58 5.02 0.00 1.47 1.38 0.00 1.54 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.09 1.12 7.81 14 F 8.63 5.37 0.00 3.16 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 15 K 8.71 4.34 0.00 1.76 2.03 0.00 1.53 0.00 0.00 1.90 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.28 1.41 7.81 16 E 8.88 4.20 0.00 2.02 2.06 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 2.29 2.30 0.00 17 D 8.04 5.18 0.00 2.76 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 18 T 7.42 3.75 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 1.15 0.00 0.00 19 K 8.28 4.21 0.00 1.93 1.95 0.00 1.51 0.00 0.00 2.01 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.47 7.81 20 V 7.89 3.67 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 0.82 0.00 0.00 0.90 0.00 0.00 21 D 7.99 4.35 0.00 2.69 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 22 E 8.10 4.01 0.00 1.97 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 2.32 2.36 0.00 23 I 7.96 4.03 2.15 0.00 0.00 0.84 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 0.70 1.24 0.00 0.00 24 L 8.52 4.07 0.00 1.92 1.93 1.05 0.99 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 25 K 7.99 4.06 0.00 2.07 1.87 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.17 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.53 7.81 26 G 8.42 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 7.95 3.79 0.00 1.87 1.77 0.84 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.08 4.03 0.00 2.11 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 2.36 2.58 0.00 29 N 7.97 4.36 0.00 2.81 2.86 0.00 0.00 6.78 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 9.11 3.82 0.00 1.42 1.53 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 31 V 8.76 3.33 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 0.80 0.00 0.00 0.82 0.00 0.00 32 S 8.45 4.05 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 33 Q 8.36 4.11 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 5.72 0.00 0.00 0.00 0.00 0.00 2.35 2.64 0.00 34 I 9.23 4.05 1.74 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.63 0.00 0.00 35 D 7.72 4.32 0.00 2.79 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 36 T 7.94 4.01 4.22 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 1.24 0.00 0.00 37 V 7.50 3.56 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 0.68 0.00 0.00 0.92 0.00 0.00 38 K 7.73 4.78 0.00 1.70 1.81 0.00 1.73 0.00 0.00 1.90 0.00 0.00 3.15 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.57 7.81 39 S 7.01 4.70 0.00 3.53 3.49 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 40 F 8.26 4.53 0.00 2.93 2.67 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 41 E 7.28 4.86 0.00 1.44 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.88 0.00 42 W 8.88 5.29 0.00 3.31 3.05 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 0.00 43 G 8.80 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 44 E 7.90 4.94 0.00 1.65 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 45 D 8.45 5.36 0.00 2.64 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 46 K 8.71 4.31 0.00 1.71 1.87 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.82 1.50 7.81 47 E 7.76 4.58 0.00 1.93 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 2.55 2.21 0.00 48 S 7.29 4.44 0.00 3.75 3.44 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 49 H 8.57 4.96 0.00 3.27 3.20 0.00 5.91 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 D 8.86 4.72 0.00 2.67 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 51 M 8.07 4.20 0.00 2.03 2.11 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 2.59 2.64 0.00 52 L 7.70 4.50 0.00 1.77 1.70 0.96 1.00 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 53 R 9.21 4.18 0.00 1.95 2.02 0.00 3.39 0.00 0.00 3.28 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 54 Q 8.94 3.43 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 5.59 0.00 0.00 0.00 0.00 0.00 2.29 2.37 0.00 55 G 8.69 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 0.00 0.00 0.00 0.00 56 F 7.48 4.47 0.00 3.04 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 57 T 9.03 4.74 4.53 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 1.53 0.00 0.00 58 H 8.23 5.45 0.00 3.25 3.09 0.00 5.91 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 59 A 7.23 5.61 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 60 F 8.74 4.91 0.00 3.07 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 61 S 8.77 4.87 0.00 4.06 3.94 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 62 M 8.76 5.24 0.00 1.53 1.92 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.18 0.00 63 T 8.16 5.08 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 1.31 0.00 0.00 64 F 9.08 5.34 0.00 3.29 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 65 E 8.91 4.18 0.00 2.26 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 0.00 2.44 2.41 0.00 66 N 7.87 4.49 0.00 2.85 2.84 0.00 0.00 7.27 6.04 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 67 K 8.30 3.87 0.00 1.76 1.71 0.00 1.51 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.16 1.35 7.81 68 D 8.24 4.50 0.00 2.88 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 69 G 8.09 3.75 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 0.00 0.00 0.00 70 Y 7.49 3.05 0.00 2.49 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 71 V 7.72 3.67 2.06 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 0.87 0.00 0.00 0.99 0.00 0.00 72 A 7.88 4.06 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 73 F 8.22 4.08 0.00 3.02 3.06 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 74 T 7.31 3.76 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 0.84 0.00 0.00 75 S 7.69 4.33 0.00 4.03 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 76 H 7.58 4.87 0.00 3.06 3.10 0.00 5.81 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 P 0.00 4.20 0.00 2.23 2.24 0.00 3.65 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 78 L 7.67 4.55 0.00 1.77 1.67 0.99 1.09 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 79 H 7.58 4.44 0.00 1.79 2.68 0.00 5.84 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.53 3.48 2.01 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 1.07 0.00 0.00 0.80 0.00 0.00 81 E 7.91 3.97 0.00 2.29 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 0.00 2.61 2.44 0.00 82 F 8.05 4.21 0.00 3.32 3.39 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 0.00 83 S 8.89 4.06 0.00 3.85 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 84 A 8.11 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 85 A 7.62 3.87 1.21 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 86 F 8.15 3.59 0.00 2.68 3.16 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 87 T 7.76 4.14 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 1.35 0.00 0.00 88 A 7.54 4.00 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 89 V 7.70 4.20 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 0.51 0.00 0.00 0.86 0.00 0.00 90 I 8.68 4.66 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.54 1.04 0.00 0.00 91 D 8.90 4.89 0.00 2.58 2.66 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 0.00 0.00 0.00 0.00 92 K 7.80 4.77 0.00 1.81 1.76 0.00 1.17 0.00 0.00 1.00 0.00 0.00 2.86 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.40 1.50 7.81 93 I 8.49 4.80 2.03 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.01 1.01 0.00 0.00 94 V 8.86 4.66 2.32 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 1.09 0.00 0.00 1.24 0.00 0.00 95 L 8.49 5.80 0.00 1.49 1.46 1.01 1.15 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 96 L 8.35 4.64 0.00 1.52 1.63 0.97 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 97 D 8.35 4.71 0.00 2.54 2.36 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 98 F 7.21 5.04 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 99 P 0.00 4.87 0.00 2.23 2.43 0.00 3.93 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 2.09 2.09 0.00 100 V 9.40 4.33 2.28 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 0.90 0.00 0.00 1.06 0.00 0.00 101 A 8.52 4.62 1.26 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 0.00 102 A 8.29 4.56 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 0.00 103 V 7.61 4.53 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 1.01 0.00 0.00 1.00 0.00 0.00 104 K 7.57 3.92 0.00 1.78 1.89 0.00 1.71 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.54 7.81 105 S 7.57 4.33 0.00 4.00 3.91 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 0.00 106 S 7.74 4.59 0.00 3.81 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 0.00 107 V 8.23 4.30 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 0.80 0.00 0.00 0.92 0.00 0.00 108 V 7.56 4.47 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 0.93 0.00 0.00 109 A 8.29 4.65 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 0.00 110 T 8.45 3.93 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 *111 P 0.00 4.20 0.00 1.86 1.90 0.00 3.65 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 1.84 2.08 0.00 * Residues marked with a * may have inaccurate shift predictions.