NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 P 4.5947 0.0000 0.0000 62.0508 32.8784 176.1494 18 N 4.4728 8.1560 118.4785 51.8268 39.4629 174.3669 19 A 3.9262 8.7863 123.0994 55.2035 18.7719 180.5778 20 A 3.8949 8.0255 118.8225 55.4576 18.3897 179.9416 21 V 3.1514 8.3322 116.8608 65.9953 31.5685 178.1822 22 Q 3.9371 8.1224 117.8590 59.2259 28.5853 179.1877 23 S 4.3806 8.3836 116.4717 61.4504 62.7281 176.9825 24 G 3.6274 8.0445 108.6765 47.6549 0.0000 175.5817 25 L 4.0750 7.7564 122.8073 57.8964 42.0379 178.9856 26 Q 4.0060 8.0048 118.1742 58.9926 28.5863 178.5509 27 E 3.9272 8.3421 120.2862 58.7661 29.6506 178.2949 28 W 4.2194 8.5757 128.8359 61.1040 30.6463 177.4095 29 H 4.1606 8.6047 116.0729 58.9940 28.0947 177.7445 30 R 3.7428 8.0089 120.1299 59.4154 29.9414 178.4868 31 I 3.1963 7.6826 119.8904 64.2164 37.0522 178.5080 32 I 2.5701 6.9480 120.0589 63.9870 36.6384 178.3517 33 A 3.8809 7.7034 120.3594 54.5530 18.2898 178.5422 34 E 4.1353 7.8918 113.6473 54.8341 30.5903 175.6805 35 A 2.5982 6.8278 121.0974 52.6954 17.3934 178.6671 36 D 4.3692 6.7398 119.3036 53.8148 37.9935 175.7107 37 W 4.3861 7.1652 122.6265 59.4049 29.4743 177.6326 38 E 4.0268 8.2744 118.1570 58.4871 29.0701 177.7516 39 R 4.4230 7.7480 116.4765 55.9680 30.4836 177.8245 40 L 4.0289 7.9628 122.4752 57.8258 42.2518 176.8731 41 P 4.2972 0.0000 0.0000 65.9520 31.0473 178.2540 42 D 4.4668 7.5302 116.4018 56.7284 40.9268 177.8702 43 L 4.2671 8.1082 120.3077 55.5322 42.3480 175.9911 44 L 4.6988 7.0434 117.9492 53.2126 43.2497 176.4923 45 A 4.2288 8.6360 126.0421 51.7539 19.0496 178.3375 46 E 4.0000 8.8957 121.6863 58.7814 29.7733 177.4581 47 D 4.9902 7.7791 116.7170 52.6659 40.2805 176.6079 48 V 3.9962 7.5772 119.3301 63.1911 32.6562 174.7714 49 V 4.8328 8.6907 122.6945 61.1074 34.5399 173.8552 50 F 5.5723 9.3490 129.7023 56.6349 42.4562 173.4956 51 S 4.8067 9.1367 122.8360 56.7032 65.0854 173.6691 52 N 5.0644 8.0365 122.5017 50.2894 39.7823 173.9971 53 P 4.2765 0.0000 0.0000 64.2966 31.7042 176.9386 54 S 4.7269 7.7233 112.2108 58.1879 64.6657 174.1980 55 T 4.7316 8.0782 110.1683 59.6515 71.6114 173.8667 56 F 4.1687 8.9302 125.9759 61.2160 39.8023 175.9209 57 D 4.3137 7.8369 119.5486 53.2952 41.1900 174.3078 58 P 4.4469 0.0000 0.0000 63.0286 32.4757 175.0511 59 Y 4.6595 8.9875 118.8187 57.1315 40.1956 174.3633 60 H 5.2043 9.1704 118.9689 55.3440 31.6367 174.9062 61 G 4.0968 9.1190 107.8917 45.0766 0.0000 173.8078 62 K 4.1062 8.5666 117.8707 59.1952 32.4410 180.0340 63 G 3.7886 8.2957 106.9647 48.2658 0.0000 172.7638 64 P 4.2763 0.0000 0.0000 65.0759 31.5960 179.3540 65 L 3.7966 7.4369 114.4824 55.1252 41.4019 179.2624 *67 V 3.8576 7.9806 119.5326 63.1169 33.2833 177.6025 68 I 3.6147 7.8182 120.4898 64.0746 36.9340 178.2664 69 L 3.7976 7.5912 119.8430 57.4503 41.4800 177.8669 70 P 2.9700 0.0000 0.0000 64.9000 30.7934 178.5863 71 A 3.8763 6.8297 117.6535 54.9354 18.6091 179.5065 72 V 3.5698 7.7175 116.7599 66.3795 31.5286 178.2563 73 F 3.8574 8.3595 117.6962 60.5581 38.4732 177.6626 74 S 4.1328 7.9692 112.0526 61.0030 62.1835 175.7456 75 V 4.1477 7.5496 119.8417 63.5868 31.5931 175.6784 76 L 4.2319 7.2325 118.6328 54.2198 41.0729 176.4457 77 E 4.3702 9.2035 124.6152 56.4122 30.5167 176.4260 78 N 4.4258 8.7852 115.5100 54.0383 36.4308 174.6865 79 F 4.3657 8.2910 119.1482 58.5525 40.4168 174.1665 80 Q 4.4525 8.2444 126.7360 54.5304 32.3255 173.4952 81 Y 5.0245 8.8295 124.2406 57.1576 38.8940 174.4034 82 A 4.8841 9.2190 123.9764 51.9932 21.3940 179.7822 83 R 4.1586 9.2680 119.2918 59.0828 30.8875 174.1456 84 H 5.6332 7.9763 116.7537 54.1701 31.9573 172.3519 85 F 5.1422 9.4430 117.4819 56.1957 43.6875 173.6167 86 S 5.2213 8.7986 114.5037 57.0404 65.8716 172.8441 87 S 4.6914 8.6225 116.9315 57.1088 65.8968 175.3106 88 K 4.2388 8.6099 120.1548 57.0520 31.6118 173.9669 89 S 4.7355 7.4837 110.4056 57.8557 64.1882 173.0952 90 G 4.5863 7.4177 107.3767 46.3491 0.0000 171.5705 91 Y 5.4915 9.1038 116.1647 56.3762 43.0987 174.7887 92 V 4.9278 9.2206 121.6497 61.2568 34.5650 174.2306 93 L 5.1298 9.1393 128.5042 52.8994 43.8242 175.7113 94 E 4.8636 9.5547 126.6593 56.2620 31.1815 175.4329 95 F 5.4210 8.8089 119.0234 55.6367 42.1336 172.7141 96 N 5.5326 8.6545 116.5361 51.9895 42.0715 173.7802 97 A 4.8717 8.3275 121.8450 51.9177 23.5312 173.8912 98 N 5.0693 8.1308 117.5161 50.8668 41.2040 172.4408 *100 G 4.4081 8.7476 105.2736 45.9324 0.0000 173.2833 101 D 4.5331 8.8327 125.4177 53.2065 39.5746 175.9306 102 E 4.4054 7.7058 120.7340 55.2540 29.6421 175.5854 103 L 4.4490 8.2679 124.4457 54.1961 43.1732 176.0071 104 L 4.9939 8.4344 120.8189 55.0038 44.2999 174.1906 105 T 4.9808 8.3293 109.4291 60.4023 72.3877 172.4921 106 G 3.5063 7.5527 107.7665 45.6724 0.0000 172.4017 107 V 5.1774 7.8995 111.4266 59.6100 36.2597 174.8314 108 D 5.4875 9.6453 124.1437 52.8908 43.0083 175.0962 109 L 4.9959 9.2644 127.3838 53.7058 43.8559 175.1541 110 I 4.8018 8.9915 127.5218 59.5269 40.4821 174.2557 111 E 4.9870 8.9354 126.8396 54.5686 32.0209 175.1396 112 F 5.4447 9.0220 122.3944 55.6322 42.2117 175.3444 113 N 4.8070 9.1991 120.2346 51.7635 38.6699 175.8231 114 D 4.2675 8.6221 117.1344 57.2136 40.8132 177.5593 115 A 4.2326 8.1773 119.4221 52.1886 18.7616 177.6096 116 G 3.9615 8.5021 104.3628 45.8841 0.0000 173.7123 117 K 4.9088 8.3786 118.5295 54.2447 34.3361 175.6285 118 I 4.0603 8.6199 124.2636 61.4431 37.6291 176.6331 119 T 4.5123 8.9500 117.3170 62.3032 71.1019 174.2092 120 D 5.2713 7.6378 121.2860 52.6309 45.7734 174.0162 121 L 5.0555 9.2029 124.3686 53.3334 45.6645 174.9918 122 V 4.8843 9.0842 126.4512 61.1793 34.1538 174.5617 123 V 5.6047 8.8663 127.1643 60.1956 34.7397 174.6979 *126 R 4.1360 8.2554 118.9317 54.9351 30.5266 173.4369 127 P 4.6799 0.0000 0.0000 62.2044 32.4849 177.0100 128 A 4.0281 8.7287 121.7710 55.6203 17.9774 180.2382 129 S 4.1008 8.0665 112.1307 61.7204 62.9299 176.8825 130 V 3.7735 7.7199 121.4283 65.6199 31.1947 178.1397 131 V 3.6549 7.8007 117.6799 65.9104 31.2355 177.7843 132 I 3.6961 7.8019 119.5302 64.6070 36.8802 178.1215 133 D 4.3643 7.8459 119.5939 57.3109 40.5934 178.6066 134 L 3.9762 8.3683 121.2461 58.3722 42.0787 179.2605 135 S 4.1456 8.3774 115.2547 61.2899 62.5592 176.7548 136 V 3.5555 7.5641 121.2900 66.0861 31.2803 177.7741 137 E 3.9290 7.9449 119.1429 59.1964 29.4063 178.8287 138 V 3.6593 8.2683 118.9348 65.8854 31.5418 178.1023 139 G 3.6692 8.0637 105.4587 47.9333 0.0000 175.8109 140 K 4.0385 7.7723 120.9492 59.2597 31.8372 179.7868 141 R 3.9834 7.9810 117.5487 58.9329 30.2135 178.9783 142 I 3.7621 7.9723 119.7107 64.4459 36.9688 178.0798 143 A 4.0396 7.7318 119.8602 54.6382 18.0917 178.5287 144 A 4.5138 7.3834 115.7133 50.9129 19.8897 176.9113 145 A 4.0295 7.4436 122.7285 53.9279 18.8060 178.6001 146 Q 4.5271 8.1043 118.7493 55.4944 30.4734 176.1328 147 S 4.3602 7.7755 117.3948 59.0757 62.3620 176.3531 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 17 P 0.00 4.59 0.00 2.05 1.96 0.00 3.70 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 2.02 0.00 18 N 8.16 4.47 0.00 3.06 2.97 0.00 0.00 5.82 6.11 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 19 A 8.79 3.93 1.32 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 0.00 0.00 20 A 8.03 3.89 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.33 3.15 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 0.88 0.00 0.00 1.03 0.00 0.00 22 Q 8.12 3.94 0.00 2.28 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.60 0.00 23 S 8.38 4.38 0.00 3.97 3.89 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 0.00 0.00 0.00 24 G 8.04 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 25 L 7.76 4.08 0.00 1.27 1.52 0.52 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.00 4.01 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.48 0.00 27 E 8.34 3.93 0.00 2.12 2.17 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 2.35 2.40 0.00 28 W 8.58 4.22 0.00 3.57 3.30 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 29 H 8.60 4.16 0.00 3.39 3.32 0.00 5.67 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 30 R 8.01 3.74 0.00 1.90 1.97 0.00 3.02 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.58 0.00 31 I 7.68 3.20 1.50 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 1.26 0.45 0.12 0.00 0.00 32 I 6.95 2.57 1.54 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 0.09 0.11 0.05 0.00 0.00 33 A 7.70 3.88 1.25 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 34 E 7.89 4.14 0.00 1.75 1.80 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 2.14 2.25 0.00 35 A 6.83 2.60 1.17 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 0.00 0.00 36 D 6.74 4.37 0.00 2.51 2.23 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 0.00 37 W 7.17 4.39 0.00 3.39 3.11 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 38 E 8.27 4.03 0.00 1.97 1.97 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 2.29 2.42 0.00 39 R 7.75 4.42 0.00 1.91 1.88 0.00 3.33 0.00 0.00 3.08 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 40 L 7.96 4.03 0.00 1.96 1.90 1.12 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.30 0.00 2.22 2.12 0.00 3.85 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 42 D 7.53 4.47 0.00 2.64 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.11 4.27 0.00 1.86 1.92 1.21 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.04 4.70 0.00 1.72 1.59 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.64 4.23 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.90 4.00 0.00 1.96 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 2.31 2.27 0.00 47 D 7.78 4.99 0.00 2.84 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 48 V 7.58 4.00 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 0.71 0.00 0.00 0.97 0.00 0.00 49 V 8.69 4.83 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 0.94 0.00 0.00 1.02 0.00 0.00 50 F 9.35 5.57 0.00 3.03 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 51 S 9.14 4.81 0.00 3.67 3.54 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 52 N 8.04 5.06 0.00 2.69 2.06 0.00 0.00 5.99 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.28 0.00 2.22 2.27 0.00 3.48 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 54 S 7.72 4.73 0.00 3.88 4.01 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 55 T 8.08 4.73 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 1.24 0.00 0.00 56 F 8.93 4.17 0.00 2.98 3.12 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 57 D 7.84 4.31 0.00 2.53 2.42 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 58 P 0.00 4.45 0.00 1.84 1.85 0.00 3.58 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.87 0.00 59 Y 8.99 4.66 0.00 3.01 2.98 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 0.00 0.00 0.00 60 H 9.17 5.20 0.00 3.06 3.22 0.00 5.69 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 9.12 4.10 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 0.00 0.00 0.00 62 K 8.57 4.11 0.00 1.85 1.88 0.00 1.70 0.00 0.00 1.95 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.46 7.81 63 G 8.30 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 64 P 0.00 4.28 0.00 2.23 2.00 0.00 3.79 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 2.44 2.22 0.00 65 L 7.44 3.80 0.00 1.80 1.49 0.87 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 *67 V 7.98 3.86 2.10 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 0.92 0.00 0.00 0.90 0.00 0.00 68 I 7.82 3.61 1.85 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.31 0.97 0.00 0.00 69 L 7.59 3.80 0.00 1.34 1.19 1.07 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 70 P 0.00 2.97 0.00 1.63 0.91 0.00 3.30 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.66 0.00 71 A 6.83 3.88 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 72 V 7.72 3.57 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 0.74 0.00 0.00 0.97 0.00 0.00 73 F 8.36 3.86 0.00 3.11 3.08 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 74 S 7.97 4.13 0.00 4.00 4.09 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 75 V 7.55 4.15 2.17 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 0.91 0.00 0.00 0.95 0.00 0.00 76 L 7.23 4.23 0.00 1.79 1.81 0.54 0.97 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 77 E 9.20 4.37 0.00 2.29 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 2.34 2.49 0.00 78 N 8.79 4.43 0.00 3.00 2.89 0.00 0.00 6.90 7.45 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 79 F 8.29 4.37 0.00 3.04 2.92 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 80 Q 8.24 4.45 0.00 2.14 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 81 Y 8.83 5.02 0.00 3.10 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 82 A 9.22 4.88 0.99 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 0.00 0.00 83 R 9.27 4.16 0.00 2.16 1.68 0.00 3.18 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 84 H 7.98 5.63 0.00 3.10 3.23 0.00 5.68 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 85 F 9.44 5.14 0.00 3.05 2.98 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 0.00 0.00 0.00 86 S 8.80 5.22 0.00 3.56 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 0.00 87 S 8.62 4.69 0.00 3.90 3.96 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 88 K 8.61 4.24 0.00 1.70 1.86 0.00 1.73 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.00 7.81 89 S 7.48 4.74 0.00 4.16 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 0.00 90 G 7.42 4.59 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 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 9.10 5.49 0.00 2.88 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 92 V 9.22 4.93 2.23 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 1.07 0.00 0.00 0.97 0.00 0.00 93 L 9.14 5.13 0.00 1.89 1.53 0.58 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 94 E 9.55 4.86 0.00 2.26 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 2.31 2.26 0.00 95 F 8.81 5.42 0.00 2.34 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.65 5.53 0.00 2.58 2.71 0.00 0.00 7.08 7.14 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 97 A 8.33 4.87 1.39 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 0.00 0.00 98 N 8.13 5.07 0.00 2.99 2.80 0.00 0.00 6.77 6.21 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 *100 G 8.75 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 0.00 101 D 8.83 4.53 0.00 2.80 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 E 7.71 4.41 0.00 2.20 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 2.28 2.28 0.00 103 L 8.27 4.45 0.00 1.64 1.60 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.43 4.99 0.00 1.91 1.74 1.11 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.33 4.98 4.21 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 1.23 0.00 0.00 106 G 7.55 3.51 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 0.00 107 V 7.90 5.18 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 0.88 0.00 0.00 0.97 0.00 0.00 108 D 9.65 5.49 0.00 2.96 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 9.26 5.00 0.00 1.72 1.58 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 110 I 8.99 4.80 1.79 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.47 0.10 0.00 0.00 111 E 8.94 4.99 0.00 1.91 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 112 F 9.02 5.44 0.00 2.97 2.97 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 0.00 113 N 9.20 4.81 0.00 2.95 3.02 0.00 0.00 7.07 7.85 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 0.00 114 D 8.62 4.27 0.00 2.71 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 0.00 115 A 8.18 4.23 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 0.00 116 G 8.50 3.96 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 0.00 0.00 0.00 117 K 8.38 4.91 0.00 1.95 1.92 0.00 1.89 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.58 7.81 118 I 8.62 4.06 1.73 0.00 0.00 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 0.02 0.31 0.66 0.00 0.00 119 T 8.95 4.51 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 1.24 0.00 0.00 120 D 7.64 5.27 0.00 2.59 2.51 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 0.00 121 L 9.20 5.06 0.00 1.62 1.59 0.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 122 V 9.08 4.88 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 0.71 0.00 0.00 0.92 0.00 0.00 123 V 8.87 5.60 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 1.36 0.00 0.00 1.34 0.00 0.00 *126 R 8.26 4.14 0.00 2.04 2.06 0.00 2.98 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 127 P 0.00 4.68 0.00 2.24 2.21 0.00 3.80 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 128 A 8.73 4.03 1.35 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 0.00 129 S 8.07 4.10 0.00 4.06 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 0.00 130 V 7.72 3.77 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 1.07 0.00 0.00 0.97 0.00 0.00 131 V 7.80 3.65 2.25 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 1.12 0.00 0.00 1.02 0.00 0.00 132 I 7.80 3.70 2.04 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.84 0.92 0.00 0.00 133 D 7.85 4.36 0.00 2.80 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 0.00 134 L 8.37 3.98 0.00 1.77 1.91 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.38 4.15 0.00 3.92 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 0.00 136 V 7.56 3.56 2.27 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 1.00 0.00 0.00 1.01 0.00 0.00 137 E 7.94 3.93 0.00 2.07 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 2.31 2.35 0.00 138 V 8.27 3.66 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 1.00 0.00 0.00 0.98 0.00 0.00 139 G 8.06 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 0.00 0.00 0.00 140 K 7.77 4.04 0.00 1.93 1.86 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 141 R 7.98 3.98 0.00 1.86 1.96 0.00 3.15 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 142 I 7.97 3.76 2.00 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 1.51 0.97 0.87 0.00 0.00 143 A 7.73 4.04 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 0.00 144 A 7.38 4.51 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.44 4.03 1.23 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 0.00 0.00 0.00 146 Q 8.10 4.53 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.93 0.00 0.00 0.00 0.00 0.00 2.43 2.25 0.00 147 S 7.78 4.36 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.