NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 M 4.3994 8.3044 118.1970 55.1145 32.5492 174.0299 9 R 4.3514 8.1738 119.5679 53.6890 31.5425 174.1339 10 I 3.9586 8.4604 127.4958 61.9290 38.4419 175.5650 11 T 4.6288 8.3948 114.8845 61.4621 69.0930 174.6166 12 Q 4.1728 7.9372 120.2169 57.0167 29.5329 176.3443 13 G 4.1179 8.6036 107.1011 45.6119 0.0000 174.4588 14 T 3.7643 8.5469 118.6012 65.5439 68.7696 175.1956 15 F 5.1483 7.7417 119.7264 57.3996 40.1111 176.5151 16 S 4.5081 8.5176 116.5704 60.3157 62.9134 175.1044 17 F 4.2478 8.3154 117.7619 57.5704 39.2899 175.2994 18 L 4.8144 7.4629 120.1527 51.9222 43.7941 174.5551 19 P 4.4575 0.0000 0.0000 62.2283 31.8924 176.3357 20 D 4.4745 8.5825 119.7524 54.9537 41.2032 177.0376 21 L 4.3824 8.3751 123.5119 54.7016 42.6683 177.6580 22 T 4.3093 9.0169 113.8299 61.1808 71.1648 175.7035 23 D 4.5631 8.6546 121.7523 57.6435 40.8017 178.9585 24 E 3.9170 8.0821 119.3315 59.3466 29.8443 178.7395 25 Q 3.9092 7.9517 118.1231 58.9503 28.7678 178.7256 26 I 3.7292 8.2723 121.2358 64.1970 37.1446 178.2125 27 K 3.9331 8.3526 120.7274 59.6948 32.0032 178.9329 28 K 4.2735 7.9061 119.8003 59.0969 31.8798 179.4218 29 Q 4.0312 7.9347 118.2011 58.9382 28.4699 178.7986 30 I 3.9141 7.9982 120.9694 64.2674 36.6362 178.2183 31 D 4.3699 8.1162 120.1374 57.3633 40.4463 178.0291 32 Y 4.1002 8.0044 120.0666 61.1104 38.8501 178.1701 33 M 3.9848 8.4502 119.6547 58.3535 32.1452 178.8857 34 I 3.7739 8.0157 120.6088 64.2462 37.0890 178.5435 35 S 4.2556 8.2933 114.2201 60.2600 62.7843 175.6043 36 K 4.3153 7.0410 120.5715 54.9434 32.1838 175.9876 37 K 3.8974 7.5996 116.0890 57.3237 30.2771 175.4009 38 L 4.6298 7.6009 117.1402 54.3770 42.7424 176.5883 39 A 4.4374 9.3139 124.5957 51.5506 20.3070 176.3254 40 I 4.7956 8.6627 123.7442 59.5790 39.5597 175.2687 41 G 4.5042 9.1850 113.4490 44.4112 0.0000 171.2657 42 I 5.1939 8.3083 120.3398 59.4769 40.7657 174.6134 43 E 5.5235 9.2198 124.2481 55.4462 34.4878 173.7519 44 Y 6.3000 8.8357 118.9159 57.1933 42.0567 173.3852 45 T 4.7378 8.1463 108.4189 61.1487 71.6503 172.6912 46 N 5.1418 8.6346 117.8054 52.5102 37.7311 174.5591 47 D 4.6004 7.4416 119.3065 53.2796 41.4602 174.5876 48 I 4.1089 7.7545 119.9793 60.4852 38.2370 176.3641 49 H 4.3024 8.1342 121.9964 56.5879 29.9666 174.1841 50 P 4.4357 0.0000 0.0000 65.1406 31.0526 176.8746 51 R 4.2919 8.0188 117.2703 56.5658 30.7559 175.5210 *64 N 4.8236 7.9479 116.1688 52.7784 39.2891 174.2375 65 A 3.7766 7.7602 123.0162 54.4732 18.8353 177.4416 66 Y 4.7406 7.0881 111.6585 55.9895 37.9138 175.5204 67 W 4.6383 8.5043 123.8631 55.8269 30.7425 175.8579 68 E 4.1756 8.7682 122.0467 56.5123 29.8328 176.5925 69 I 4.5097 8.2557 117.1992 60.1638 39.4709 175.7884 70 W 4.5968 8.8750 135.0000 56.4149 29.8238 176.8047 71 G 3.7864 8.1909 115.1845 43.6429 0.0000 170.7673 72 L 4.2759 8.0921 118.1632 53.5504 42.2464 175.5575 73 P 4.4360 0.0000 0.0000 62.3201 32.2243 175.9125 74 L 4.2490 8.8288 120.9706 54.5835 42.2384 177.8992 75 F 4.4661 8.8921 122.0616 58.7548 40.2077 176.3069 76 D 5.0814 7.7872 118.6989 52.9309 41.4564 176.5662 77 V 3.7406 7.9585 117.8471 63.9843 32.2533 175.2271 78 T 4.3773 8.5506 120.8781 63.5903 71.2849 173.2291 79 D 4.8200 7.8579 121.2422 51.4693 42.1241 174.5314 80 P 4.3550 0.0000 0.0000 65.4106 30.9025 177.9369 81 A 4.0416 7.9531 120.8294 54.9382 17.8088 179.2354 82 A 3.9928 8.3414 119.5354 55.4796 18.4974 180.1174 83 V 3.6604 7.7935 116.1597 66.1334 31.7607 177.8444 84 L 4.0444 8.2268 120.0854 57.8142 41.7315 178.7635 85 F 4.1799 8.5635 121.0436 61.4919 39.4428 176.9912 86 E 3.9084 8.0426 116.9705 59.2906 29.1951 179.3949 87 I 3.4535 7.7414 119.8378 64.5816 37.0742 178.3108 88 N 4.1900 8.0421 116.9096 55.8726 38.3976 177.4891 89 A 3.7062 7.7421 122.7699 55.0179 18.3558 179.2071 90 C 2.0000 7.6497 117.3249 62.0705 30.9266 175.8430 91 R 3.6534 7.5731 119.5944 59.1436 29.3090 179.0063 92 K 3.8453 7.3395 118.3916 59.2617 32.3612 178.4528 93 A 4.1947 7.4469 118.8078 53.3511 19.8265 177.6142 94 R 4.1099 7.5230 115.3334 54.6298 30.6977 175.2819 95 S 4.3009 8.2913 117.0211 60.9853 63.9662 176.5759 96 N 4.7456 7.9872 116.4585 52.1691 36.7109 174.2964 97 F 4.7362 7.4105 114.6443 56.5460 43.9445 175.8472 98 Y 4.4137 8.8369 119.6472 57.9323 39.3294 174.7664 99 I 5.5598 8.9579 123.9097 59.5354 41.3299 174.6171 100 K 4.9480 9.6940 124.9312 55.1251 36.5408 174.9838 101 V 4.5652 7.7765 121.6187 61.1830 33.7098 174.5838 102 V 4.7597 8.8091 127.3810 60.9594 34.8981 174.1502 103 G 4.4085 9.0967 114.8845 44.5802 0.0000 171.6947 104 F 5.3080 9.5350 129.2052 56.4995 41.9089 174.2640 105 S 4.7559 7.6818 119.9904 56.2737 64.9627 174.2935 106 S 4.7082 8.2534 120.4552 58.1020 63.4490 174.3015 107 V 3.6671 7.5209 122.0045 62.8147 31.7778 176.8551 107A R 4.0547 8.8868 127.8225 59.7961 30.0795 178.1761 107B G 3.7137 7.9440 103.5392 48.3330 0.0000 174.3927 108 I 3.8649 8.0330 121.7211 57.8285 38.1019 175.5330 109 E 4.1000 7.7063 121.1516 55.5568 27.3839 172.7700 110 S 4.7669 6.1605 111.3462 57.8567 65.7777 173.5606 111 T 4.5127 8.6317 119.5035 63.6531 68.4166 174.7028 112 I 4.4121 8.1071 118.7977 59.7261 38.2507 174.9683 113 I 4.1046 7.2802 117.7996 61.0881 41.3118 172.9796 114 S 5.4263 8.4476 123.6268 58.2325 65.6185 172.9269 115 F 5.3468 8.0920 121.8940 54.8350 41.5750 174.0275 116 I 4.3995 8.6973 121.8690 61.4480 37.5725 176.1007 117 V 4.5735 8.5989 119.1331 60.1678 33.4537 174.9059 118 N 4.3256 7.4542 116.9047 53.3069 41.7431 173.4770 119 R 4.4955 8.4774 123.9990 53.2549 34.3106 173.1600 120 P 4.1145 0.0000 0.0000 62.7563 31.7338 176.7388 121 K 4.2427 8.3445 123.1411 59.2526 32.2502 175.9840 122 H 4.7191 8.0271 116.0799 54.0523 32.1968 171.9197 123 E 4.6429 8.4087 127.6033 53.8164 29.9219 173.4004 124 P 4.3060 0.0000 0.0000 64.7175 32.2769 176.1113 125 G 3.8375 8.8948 103.6465 43.6708 0.0000 171.8876 126 F 5.1661 8.6152 117.0808 55.6660 42.5095 174.4292 127 N 4.8772 8.6894 119.8266 51.2506 41.0562 173.4236 128 L 5.1878 8.5202 126.8542 53.6948 44.4048 175.1943 129 M 4.4804 9.5029 127.1084 54.6073 33.8989 175.8452 130 R 4.3978 8.4866 121.9513 54.1705 31.3680 173.2028 131 Q 4.1773 8.4380 124.2312 55.1324 30.5732 174.1832 132 E 4.3284 8.7476 126.8022 55.3826 29.7584 175.6695 133 D 4.8374 8.4134 128.9408 53.7754 40.2336 177.2818 134 K 4.2198 8.5594 116.6130 57.3642 33.8431 176.8665 135 S 3.5697 8.1492 118.8128 60.2647 62.3193 173.6726 136 R 4.4244 8.6795 127.3550 57.0184 30.2672 176.2029 137 S 4.4813 8.1369 115.7217 58.7706 64.1304 173.3287 138 I 4.9124 8.0105 121.3409 59.5775 41.2897 174.9334 139 K 4.4394 8.6738 125.6937 55.0930 33.6393 175.2923 140 Y 5.4614 8.5335 122.7173 56.8332 39.8590 175.5314 141 T 4.7008 8.3976 117.4115 62.1940 72.6256 172.7535 142 I 4.9056 8.4987 127.0391 60.1321 39.6445 174.9532 143 H 4.8588 8.9959 125.6528 54.7556 33.4454 172.9888 144 S 4.1921 8.7169 121.1848 58.1719 63.3811 174.2930 145 Y 4.6354 8.4588 122.2699 61.5892 37.5440 179.0416 146 E 3.9347 8.0983 118.8339 59.3144 29.3368 178.8944 147 S 4.2236 7.5868 113.0027 60.2281 62.8923 175.0775 148 Y 4.3716 7.7823 118.7930 57.7248 38.2196 175.0703 149 K 4.7223 7.2838 119.5704 53.2494 35.2537 174.2651 150 P 4.4744 0.0000 0.0000 62.5486 31.7124 177.0069 151 E 3.8836 9.0311 119.4271 59.9777 29.4000 178.7995 152 D 4.8708 8.0776 114.1699 53.7701 39.2871 176.1203 153 E 4.6517 8.0714 115.9183 56.1029 31.4303 175.7791 154 R 4.1202 7.6154 118.1144 56.5023 31.1160 176.2329 155 Y 3.9505 8.2833 119.0269 58.6967 38.5985 170.4025 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 M 8.30 4.40 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.69 0.00 9 R 8.17 4.35 0.00 1.80 1.76 0.00 3.17 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 10 I 8.46 3.96 1.98 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.58 0.88 0.00 0.00 11 T 8.39 4.63 4.46 0.00 0.00 0.00 0.00 0.00 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 12 Q 7.94 4.17 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.69 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 13 G 8.60 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 0.00 0.00 0.00 0.00 14 T 8.55 3.76 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 0.35 0.00 0.00 15 F 7.74 5.15 0.00 3.08 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 16 S 8.52 4.51 0.00 3.99 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 17 F 8.32 4.25 0.00 3.06 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 18 L 7.46 4.81 0.00 1.87 1.61 0.99 1.02 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 19 P 0.00 4.46 0.00 2.04 1.99 0.00 3.72 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 2.03 2.12 0.00 20 D 8.58 4.47 0.00 2.67 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 21 L 8.38 4.38 0.00 1.68 1.55 0.67 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 22 T 9.02 4.31 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 1.22 0.00 0.00 23 D 8.65 4.56 0.00 2.79 2.79 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 24 E 8.08 3.92 0.00 1.99 1.92 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 2.37 2.33 0.00 25 Q 7.95 3.91 0.00 2.32 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 26 I 8.27 3.73 2.08 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 1.60 1.08 1.08 0.00 0.00 27 K 8.35 3.93 0.00 1.95 2.05 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.66 7.81 28 K 7.91 4.27 0.00 1.99 1.79 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.46 7.81 29 Q 7.93 4.03 0.00 2.17 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.18 1.69 0.00 30 I 8.00 3.91 2.11 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 1.69 1.08 0.98 0.00 0.00 31 D 8.12 4.37 0.00 2.96 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 32 Y 8.00 4.10 0.00 3.11 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 33 M 8.45 3.98 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.18 2.84 0.00 34 I 8.02 3.77 2.04 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.31 0.92 0.00 0.00 35 S 8.29 4.26 0.00 3.95 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 0.00 36 K 7.04 4.32 0.00 1.37 1.66 0.00 1.41 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.17 0.85 7.81 37 K 7.60 3.90 0.00 1.88 1.88 0.00 1.63 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.38 1.43 7.81 38 L 7.60 4.63 0.00 1.64 1.70 0.94 0.77 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 39 A 9.31 4.44 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 40 I 8.66 4.80 1.87 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 1.20 0.90 0.94 0.00 0.00 41 G 9.18 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.31 5.19 2.07 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 1.32 0.74 0.86 0.00 0.00 43 E 9.22 5.52 0.00 1.85 1.98 0.00 0.00 0.00 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 2.27 0.00 44 Y 8.84 6.30 0.00 3.33 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 45 T 8.15 4.74 3.93 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 0.93 0.00 0.00 46 N 8.63 5.14 0.00 2.74 2.12 0.00 0.00 5.73 8.06 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 47 D 7.44 4.60 0.00 2.58 2.40 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 48 I 7.75 4.11 1.67 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.40 -0.25 0.00 0.00 49 H 8.13 4.30 0.00 3.30 3.22 0.00 5.60 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 P 0.00 4.44 0.00 2.13 2.06 0.00 3.19 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 51 R 8.02 4.29 0.00 1.81 1.94 0.00 3.31 0.00 0.00 3.08 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 *64 N 7.95 4.82 0.00 2.86 2.96 0.00 0.00 7.53 8.15 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 65 A 7.76 3.78 0.67 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 66 Y 7.09 4.74 0.00 3.11 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 67 W 8.50 4.64 0.00 3.26 3.28 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 68 E 8.77 4.18 0.00 1.16 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 2.24 2.40 0.00 69 I 8.26 4.51 1.92 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 1.24 0.58 0.95 0.00 0.00 70 W 8.88 4.60 0.00 3.71 3.27 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 71 G 8.19 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 72 L 8.09 4.28 0.00 1.68 1.71 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.44 0.00 1.69 1.88 0.00 3.82 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 1.48 1.84 0.00 74 L 8.83 4.25 0.00 1.80 1.64 1.00 1.19 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 75 F 8.89 4.47 0.00 3.10 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 76 D 7.79 5.08 0.00 2.69 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 77 V 7.96 3.74 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 0.84 0.00 0.00 0.97 0.00 0.00 78 T 8.55 4.38 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 1.23 0.00 0.00 79 D 7.86 4.82 0.00 2.74 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 0.00 0.00 0.00 80 P 0.00 4.35 0.00 2.34 2.35 0.00 3.77 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.26 0.00 81 A 7.95 4.04 1.41 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 0.00 0.00 82 A 8.34 3.99 1.41 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 0.00 0.00 83 V 7.79 3.66 2.29 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 1.08 0.00 0.00 0.99 0.00 0.00 84 L 8.23 4.04 0.00 2.01 1.73 1.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.56 4.18 0.00 3.26 3.35 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 86 E 8.04 3.91 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 2.76 2.72 0.00 87 I 7.74 3.45 1.97 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.78 0.84 0.00 0.00 88 N 8.04 4.19 0.00 2.89 2.74 0.00 0.00 6.97 7.21 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 89 A 7.74 3.71 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 90 C 7.65 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 91 R 7.57 3.65 0.00 1.88 1.84 0.00 3.06 0.00 0.00 3.01 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 92 K 7.34 3.85 0.00 1.71 1.88 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.54 7.81 93 A 7.45 4.19 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 94 R 7.52 4.11 0.00 1.04 0.66 0.00 2.21 0.00 0.00 2.28 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.50 0.00 95 S 8.29 4.30 0.00 3.85 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 96 N 7.99 4.75 0.00 2.94 2.91 0.00 0.00 5.77 7.43 0.00 0.00 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 F 7.41 4.74 0.00 2.93 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 98 Y 8.84 4.41 0.00 2.76 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 99 I 8.96 5.56 1.90 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.90 0.93 0.00 0.00 100 K 9.69 4.95 0.00 1.55 1.73 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.21 0.00 0.00 0.00 0.00 1.11 0.99 7.81 101 V 7.78 4.57 0.73 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 0.89 0.00 0.00 0.70 0.00 0.00 102 V 8.81 4.76 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 0.99 0.00 0.00 0.80 0.00 0.00 103 G 9.10 4.41 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 0.00 0.00 0.00 104 F 9.53 5.31 0.00 3.13 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 0.00 105 S 7.68 4.76 0.00 3.73 3.34 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 0.00 106 S 8.25 4.71 0.00 3.94 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 0.00 107 V 7.52 3.67 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 0.97 0.00 0.00 0.88 0.00 0.00 107A R 8.89 4.05 0.00 1.84 1.96 0.00 3.30 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 107B G 7.94 3.71 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 0.00 0.00 0.00 108 I 8.03 3.86 1.74 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.43 0.80 0.00 0.00 109 E 7.71 4.10 0.00 2.11 2.11 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 2.30 2.45 0.00 110 S 6.16 4.77 0.00 3.83 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 0.00 111 T 8.63 4.51 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 1.26 0.00 0.00 112 I 8.11 4.41 1.88 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 1.18 0.73 0.88 0.00 0.00 113 I 7.28 4.10 2.04 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.40 1.12 0.00 0.00 114 S 8.45 5.43 0.00 3.79 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 8.09 5.35 0.00 3.32 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 0.00 116 I 8.70 4.40 2.05 0.00 0.00 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 1.50 1.02 1.16 0.00 0.00 117 V 8.60 4.57 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 0.72 0.00 0.00 0.92 0.00 0.00 118 N 7.45 4.33 0.00 2.68 2.59 0.00 0.00 6.86 7.65 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 0.00 119 R 8.48 4.50 0.00 1.48 1.35 0.00 3.26 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 120 P 0.00 4.11 0.00 1.52 1.22 0.00 2.20 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.44 0.00 121 K 8.34 4.24 0.00 1.78 1.91 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.45 7.81 122 H 8.03 4.72 0.00 3.07 3.18 0.00 5.69 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 0.00 123 E 8.41 4.64 0.00 1.98 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 2.34 2.44 0.00 124 P 0.00 4.31 0.00 2.15 2.10 0.00 3.79 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.15 0.00 125 G 8.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.62 5.17 0.00 2.83 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 0.00 127 N 8.69 4.88 0.00 2.05 2.72 0.00 0.00 6.52 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.52 5.19 0.00 1.69 1.61 0.98 1.00 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 0.00 129 M 9.50 4.48 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.75 0.00 130 R 8.49 4.40 0.00 1.62 1.71 0.00 3.25 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 131 Q 8.44 4.18 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.46 0.00 132 E 8.75 4.33 0.00 1.86 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 0.00 2.25 2.25 0.00 133 D 8.41 4.84 0.00 2.57 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 0.00 134 K 8.56 4.22 0.00 1.85 1.70 0.00 1.86 0.00 0.00 1.81 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.45 7.81 135 S 8.15 3.57 0.00 3.96 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 0.00 136 R 8.68 4.42 0.00 1.79 1.95 0.00 3.37 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 137 S 8.14 4.48 0.00 3.96 3.77 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 0.00 138 I 8.01 4.91 1.29 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.02 0.00 0.00 139 K 8.67 4.44 0.00 1.58 1.71 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.51 7.81 140 Y 8.53 5.46 0.00 2.80 2.87 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 0.00 141 T 8.40 4.70 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 1.26 0.00 0.00 142 I 8.50 4.91 1.72 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.50 0.53 0.00 0.00 143 H 9.00 4.86 0.00 3.14 3.01 0.00 5.59 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 0.00 144 S 8.72 4.19 0.00 3.47 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 0.00 145 Y 8.46 4.64 0.00 3.12 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 0.00 146 E 8.10 3.93 0.00 1.59 1.41 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 2.00 1.47 0.00 147 S 7.59 4.22 0.00 3.76 3.69 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 0.00 0.00 0.00 148 Y 7.78 4.37 0.00 3.19 2.99 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 0.00 149 K 7.28 4.72 0.00 1.67 1.68 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.47 7.81 150 P 0.00 4.47 0.00 2.40 2.19 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.00 0.00 151 E 9.03 3.88 0.00 2.10 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 2.60 2.36 0.00 152 D 8.08 4.87 0.00 2.84 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 0.00 153 E 8.07 4.65 0.00 2.06 1.92 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 2.23 2.25 0.00 154 R 7.62 4.12 0.00 1.66 1.37 0.00 3.35 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 155 Y 8.28 3.95 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.