NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.1231 8.2993 120.1138 55.2043 33.6785 176.0538 5 P 3.9017 0.0000 0.0000 61.8775 32.8315 175.7291 6 I 3.5540 7.8424 119.0090 63.9283 38.3918 179.3742 7 W 4.2191 7.9496 117.2231 59.2476 27.9083 177.8434 8 E 3.6548 6.6786 119.5626 59.1932 29.2619 178.6257 9 Q 3.8803 7.6290 117.9887 58.8644 28.7356 179.0174 10 I 3.5749 8.1194 121.1948 64.2931 37.0270 178.2959 11 G 3.4624 8.2514 106.9720 48.1193 0.0000 175.6855 12 S 4.6401 7.8981 118.5823 60.2692 62.9464 176.5573 13 S 4.0368 7.8901 116.2787 61.0779 62.0914 175.8876 14 F 4.0214 8.6398 123.7501 61.2827 39.2332 177.1169 15 I 3.3585 8.0765 119.6990 64.3752 36.7929 178.2360 16 Q 4.1074 8.2976 120.4673 59.5174 28.8476 177.7606 17 H 4.1399 8.2333 119.3074 59.1670 29.8361 176.6805 18 Y 3.5169 7.6811 121.9870 60.4970 38.5057 177.2241 19 Y 4.2078 7.7642 117.1046 60.6955 37.8802 178.0449 20 Q 4.0565 7.9103 119.4821 58.6586 28.7864 178.3750 21 L 4.1015 7.4701 122.4485 57.5479 41.9178 178.7592 22 F 3.7812 7.7699 119.4357 60.9426 39.3841 176.0776 23 D 4.8278 8.1941 116.1113 55.2173 41.1053 176.7224 24 N 4.9956 7.6552 114.5688 53.1768 41.1259 174.7398 25 D 4.6615 8.2779 114.5354 51.2017 41.2036 176.1537 26 R 3.6402 7.7821 125.8615 60.1060 30.2475 178.0526 27 T 3.8978 7.7183 107.6272 63.6853 68.8439 175.1661 28 Q 4.3834 7.7780 120.4779 56.0067 29.0175 176.9771 29 L 3.9357 8.1561 124.5827 57.8119 42.0618 178.7537 30 G 3.9730 8.3526 105.2765 47.9543 0.0000 174.8942 31 A 4.1967 7.5730 121.1000 53.8243 18.5895 177.9134 32 I 4.2108 7.8675 110.0955 60.8540 38.4619 174.9404 33 Y 5.1414 7.8033 119.0110 56.3878 40.5526 174.4301 34 I 4.8203 8.5894 115.0503 58.9763 40.9012 175.9915 35 D 4.3536 8.6796 118.2930 57.1563 40.6873 177.8079 36 A 4.4380 7.8884 119.4699 52.1028 19.1752 177.0664 37 S 4.7341 7.9664 114.1521 59.1934 64.2986 173.1549 38 C 5.3536 9.2924 121.2197 57.8635 31.6497 172.7122 39 L 5.3057 9.2949 124.9644 53.6497 45.1716 175.1033 40 T 5.0633 9.1772 122.9654 61.8256 71.1633 172.8566 41 W 4.9345 9.7755 135.0000 55.8305 32.2990 175.8340 42 E 3.9109 10.2356 128.4926 57.6973 27.3542 175.4545 43 G 4.1719 8.6587 107.5216 45.9002 0.0000 175.0705 44 Q 4.2046 8.5475 119.5736 55.2783 29.5510 174.6040 45 Q 4.9452 8.1717 121.6443 54.8060 30.4343 175.1657 46 F 4.8423 9.6563 121.7819 55.7494 43.1949 173.8041 47 Q 4.7719 9.0860 121.4609 55.1938 31.6324 175.9063 48 G 4.5352 9.3751 111.6640 44.9682 0.0000 174.2216 49 K 3.7973 8.9932 121.8478 59.3783 32.1798 178.8979 50 A 3.9208 8.0462 120.0434 55.3819 18.3374 179.3832 51 A 3.9864 7.9259 118.6084 55.1206 18.5207 179.8578 52 I 3.3569 7.8380 118.4747 64.5026 37.1841 178.7849 53 V 3.4659 8.1477 119.3738 65.8413 31.1352 177.6157 54 E 3.7634 8.0268 119.0924 58.9234 29.2271 178.7777 55 K 3.3978 7.2815 118.3831 59.3660 32.3224 178.4516 56 L 3.4972 7.3772 119.1303 57.7820 41.2320 179.8461 57 S 3.9036 7.5310 114.3520 61.1092 62.8343 176.1607 58 S 4.1623 7.2776 114.5954 58.4071 63.3936 174.6418 59 L 3.6451 6.4411 124.0079 54.2240 41.6847 175.7282 60 P 4.5386 0.0000 0.0000 63.0950 31.2650 177.8078 61 F 4.9500 7.6454 119.2321 57.6702 37.5796 176.1480 62 Q 4.1538 8.4382 123.1278 58.1504 29.4021 177.5294 63 K 4.5819 7.8991 120.3214 54.2584 32.1884 173.7772 64 I 4.8701 7.9073 122.8405 59.0625 40.6776 174.0874 65 Q 4.8124 9.2386 127.7122 54.9680 32.6501 172.9645 66 H 5.4017 9.5637 123.9763 54.0760 31.0227 174.3681 67 S 4.6524 9.2021 117.4752 56.3922 65.5198 173.2404 68 I 4.0003 8.3803 126.4663 61.6493 37.1482 176.1017 69 T 4.2024 9.0877 124.9890 65.9335 69.4739 174.7242 70 A 5.0364 7.4987 120.9562 50.8593 23.0844 174.7247 71 Q 5.0374 8.4529 116.6551 54.9770 32.2662 173.1395 72 D 5.2099 9.1925 122.4502 52.8074 44.3623 174.6729 73 H 5.6476 8.8368 118.1614 54.5398 32.6699 172.8348 74 Q 4.4219 8.9755 118.6628 53.9893 33.4826 172.2185 75 P 4.9863 0.0000 0.0000 61.7977 33.3810 174.8751 76 T 4.5985 8.3099 110.7085 58.8830 71.4741 173.3410 77 P 4.2051 0.0000 0.0000 66.1326 31.3039 177.2637 78 D 4.6616 8.0314 114.4059 54.2536 40.5283 176.1692 79 S 3.8706 8.2682 114.1617 60.0714 60.6479 170.9125 80 C 5.0053 8.1734 117.6423 58.6603 31.0504 172.7697 81 I 4.9415 8.8542 120.5308 59.6089 40.2670 174.6623 82 I 4.9766 8.7810 127.4561 59.3699 40.2005 174.2691 83 S 5.4900 9.4274 125.5534 56.9536 66.5444 172.7153 84 M 5.1621 9.1705 123.1384 53.7983 35.2094 174.2182 85 V 4.9294 8.9954 125.8428 61.1271 35.2725 174.2877 86 V 4.1753 8.5258 125.6776 60.9316 35.0010 175.3997 87 G 3.9745 6.3926 112.6330 45.6315 0.0000 171.5777 88 Q 5.3731 8.1353 117.7130 54.0304 33.1797 174.8559 89 L 5.1469 8.9929 120.2470 54.0546 44.3154 174.9656 90 K 4.9307 9.2183 123.3040 54.4820 34.7351 174.3577 91 A 4.9338 8.2664 127.9842 50.2564 22.0405 175.1431 92 N 3.9828 8.5892 120.5233 54.7425 38.7757 176.8616 93 E 4.2405 8.9315 126.0133 58.6450 30.0894 175.6360 94 N 4.1960 7.4932 114.6988 51.9782 39.3760 172.8386 95 P 4.4954 0.0000 0.0000 62.2783 32.2354 176.1530 96 I 3.9021 8.1613 120.2580 62.3008 37.6549 175.2536 97 M 4.8970 9.0242 124.4173 53.6276 36.5164 174.9408 98 G 4.5606 8.1123 108.1223 45.0262 0.0000 172.3764 99 F 5.1227 7.6911 112.4958 56.3721 41.5438 172.6296 100 H 5.0439 8.3329 115.3035 53.9436 31.9600 171.9955 101 Q 4.9607 9.0437 121.2006 54.6368 33.0374 172.9976 102 M 5.1596 9.0478 124.9521 53.7086 35.5145 174.1265 103 F 5.4198 9.1888 123.9044 55.6294 42.9953 173.4958 104 L 5.1288 9.0845 125.8572 53.3208 44.2339 174.8648 105 L 5.2364 9.4383 127.1454 52.9018 44.7765 175.4311 106 K 5.0350 9.1097 122.9847 54.7287 36.1536 174.4761 107 N 4.4666 8.2785 125.2316 52.2515 39.4864 174.1181 108 I 4.3857 8.4144 127.5615 60.5487 40.2887 175.2507 109 N 4.1930 9.4766 120.4113 54.6253 37.2200 173.4422 110 D 4.2773 8.2981 111.0008 54.5916 38.6380 173.3329 111 A 4.7111 7.9501 119.3953 49.8198 22.9174 176.1585 112 W 4.9033 8.7890 120.6866 56.2678 29.9600 176.3119 113 V 4.6012 8.9709 118.0059 59.5905 35.4353 174.2042 114 C 4.9387 9.2788 124.4300 58.5089 31.7748 173.4679 115 T 4.5082 8.8016 117.4395 63.3041 70.3938 174.5579 116 N 5.6202 8.1345 118.7722 51.5659 43.3347 173.0495 117 D 5.2221 9.5519 122.5421 53.0022 45.2368 173.8249 118 M 5.2956 9.1013 124.9531 53.5912 36.0491 174.0705 119 F 5.0600 9.0495 125.5565 56.3887 43.0196 173.8690 120 R 4.4916 7.2720 123.1017 54.3501 34.6404 174.9190 121 L 4.5771 8.1838 122.4112 54.7577 42.9562 176.0815 122 A 4.7518 8.7668 121.2820 50.8697 22.3658 177.1182 123 L 4.3826 8.8189 120.0053 55.0877 42.8301 176.3705 124 H 4.8105 8.0741 117.6539 54.5978 30.9992 174.2835 *125 N 4.9314 8.3610 119.2210 50.9026 39.9590 175.6789 126 F 4.3091 8.5421 113.0889 59.4002 39.9715 175.2438 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 4 K 8.30 4.12 0.00 1.62 1.62 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.25 1.36 7.81 5 P 0.00 3.90 0.00 0.49 1.50 0.00 3.37 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.29 0.00 6 I 7.84 3.55 1.86 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.30 1.00 0.00 0.00 7 W 7.95 4.22 0.00 3.52 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 8 E 6.68 3.65 0.00 1.45 1.67 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 2.16 2.28 0.00 9 Q 7.63 3.88 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 10 I 8.12 3.57 1.52 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.44 -0.28 0.00 0.00 11 G 8.25 3.46 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 0.00 0.00 0.00 0.00 12 S 7.90 4.64 0.00 4.09 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 0.00 13 S 7.89 4.04 0.00 3.94 4.07 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 0.00 0.00 0.00 0.00 14 F 8.64 4.02 0.00 3.00 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 15 I 8.08 3.36 2.21 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 1.69 0.85 1.26 0.00 0.00 16 Q 8.30 4.11 0.00 2.17 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 17 H 8.23 4.14 0.00 3.20 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 Y 7.68 3.52 0.00 1.83 2.15 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 19 Y 7.76 4.21 0.00 3.19 3.02 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 0.00 0.00 0.00 20 Q 7.91 4.06 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 21 L 7.47 4.10 0.00 1.62 1.34 0.98 1.01 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 22 F 7.77 3.78 0.00 2.69 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 23 D 8.19 4.83 0.00 2.84 2.86 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 24 N 7.66 5.00 0.00 2.70 2.79 0.00 0.00 6.78 7.91 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 25 D 8.28 4.66 0.00 2.65 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.78 3.64 0.00 1.60 1.67 0.00 2.30 0.00 0.00 2.25 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.42 0.00 27 T 7.72 3.90 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 1.12 0.00 0.00 28 Q 7.78 4.38 0.00 2.29 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.57 0.00 29 L 8.16 3.94 0.00 1.95 1.74 0.54 0.66 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 30 G 8.35 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 0.00 0.00 0.00 31 A 7.57 4.20 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 32 I 7.87 4.21 2.01 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 1.24 -0.22 0.94 0.00 0.00 33 Y 7.80 5.14 0.00 3.20 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 34 I 8.59 4.82 1.93 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 1.41 0.95 0.97 0.00 0.00 35 D 8.68 4.35 0.00 2.76 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 36 A 7.89 4.44 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 37 S 7.97 4.73 0.00 4.06 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 38 C 9.29 5.35 0.00 2.88 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 39 L 9.29 5.31 0.00 1.71 1.60 1.37 0.56 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 40 T 9.18 5.06 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 41 W 9.78 4.93 0.00 3.66 3.26 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 42 E 10.24 3.91 0.00 2.29 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 0.00 2.18 1.98 0.00 43 G 8.66 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 0.00 0.00 0.00 0.00 44 Q 8.55 4.20 0.00 2.37 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 45 Q 8.17 4.95 0.00 1.80 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 46 F 9.66 4.84 0.00 2.97 2.89 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 47 Q 9.09 4.77 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.64 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 48 G 9.38 4.54 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 0.00 0.00 0.00 49 K 8.99 3.80 0.00 1.98 1.86 0.00 1.82 0.00 0.00 1.87 0.00 0.00 3.09 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.55 1.63 7.81 50 A 8.05 3.92 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 51 A 7.93 3.99 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 52 I 7.84 3.36 1.73 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 1.30 0.90 0.13 0.00 0.00 53 V 8.15 3.47 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 0.92 0.00 0.00 1.01 0.00 0.00 54 E 8.03 3.76 0.00 2.11 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 2.18 2.23 0.00 55 K 7.28 3.40 0.00 0.79 1.12 0.00 1.21 0.00 0.00 1.05 0.00 0.00 3.04 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.68 7.81 56 L 7.38 3.50 0.00 1.44 1.25 1.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 57 S 7.53 3.90 0.00 3.73 3.76 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 58 S 7.28 4.16 0.00 3.82 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 59 L 6.44 3.65 0.00 0.89 0.13 0.05 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.54 0.00 2.23 2.12 0.00 3.39 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 61 F 7.65 4.95 0.00 3.01 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 62 Q 8.44 4.15 0.00 2.42 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.23 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 63 K 7.90 4.58 0.00 1.90 1.64 0.00 1.62 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.36 7.81 64 I 7.91 4.87 1.57 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 0.96 0.73 1.05 0.00 0.00 65 Q 9.24 4.81 0.00 2.07 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 66 H 9.56 5.40 0.00 2.91 2.93 0.00 5.84 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 67 S 9.20 4.65 0.00 3.79 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 68 I 8.38 4.00 1.86 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.85 0.89 0.00 0.00 69 T 9.09 4.20 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 1.18 0.00 0.00 70 A 7.50 5.04 1.12 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 71 Q 8.45 5.04 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 72 D 9.19 5.21 0.00 2.54 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 73 H 8.84 5.65 0.00 3.25 3.40 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 74 Q 8.98 4.42 0.00 1.89 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 75 P 0.00 4.99 0.00 1.72 1.33 0.00 2.94 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 1.30 0.44 0.00 76 T 8.31 4.60 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 1.21 0.00 0.00 77 P 0.00 4.21 0.00 2.04 2.16 0.00 3.64 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 2.01 2.09 0.00 78 D 8.03 4.66 0.00 2.68 2.69 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 79 S 8.27 3.87 0.00 4.03 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 80 C 8.17 5.01 0.00 2.91 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 81 I 8.85 4.94 1.62 0.00 0.00 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.95 0.94 0.00 0.00 82 I 8.78 4.98 1.88 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 1.24 1.50 0.94 0.00 0.00 83 S 9.43 5.49 0.00 4.02 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 84 M 9.17 5.16 0.00 2.00 1.86 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 2.43 2.37 0.00 85 V 9.00 4.93 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 0.99 0.00 0.00 1.30 0.00 0.00 86 V 8.53 4.18 1.58 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 -0.07 0.00 0.00 0.09 0.00 0.00 87 G 6.39 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 0.00 0.00 0.00 88 Q 8.14 5.37 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 89 L 8.99 5.15 0.00 1.29 1.38 0.82 0.60 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 90 K 9.22 4.93 0.00 1.75 1.62 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.29 1.33 7.81 91 A 8.27 4.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.59 3.98 0.00 2.88 2.16 0.00 0.00 6.95 7.75 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 93 E 8.93 4.24 0.00 1.93 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 2.26 2.27 0.00 94 N 7.49 4.20 0.00 3.07 2.80 0.00 0.00 7.02 7.90 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 95 P 0.00 4.50 0.00 2.19 2.06 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 96 I 8.16 3.90 1.88 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 1.35 0.41 0.92 0.00 0.00 97 M 9.02 4.90 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.64 0.00 98 G 8.11 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 99 F 7.69 5.12 0.00 2.63 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 0.00 100 H 8.33 5.04 0.00 3.02 3.04 0.00 5.21 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 9.04 4.96 0.00 2.49 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.79 0.00 0.00 0.00 0.00 0.00 1.16 2.18 0.00 102 M 9.05 5.16 0.00 1.95 1.81 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.77 0.00 103 F 9.19 5.42 0.00 2.95 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 0.00 104 L 9.08 5.13 0.00 1.79 1.57 0.99 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 105 L 9.44 5.24 0.00 1.42 1.52 0.37 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 106 K 9.11 5.04 0.00 1.84 1.62 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.27 1.36 7.81 107 N 8.28 4.47 0.00 1.44 1.93 0.00 0.00 6.84 7.94 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 0.00 108 I 8.41 4.39 1.82 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 1.12 0.43 0.88 0.00 0.00 109 N 9.48 4.19 0.00 2.76 2.80 0.00 0.00 7.09 8.47 0.00 0.00 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 D 8.30 4.28 0.00 2.78 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 0.00 111 A 7.95 4.71 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 0.00 112 W 8.79 4.90 0.00 3.23 3.10 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 0.00 113 V 8.97 4.60 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 0.72 0.00 0.00 1.03 0.00 0.00 114 C 9.28 4.94 0.00 2.79 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 0.00 115 T 8.80 4.51 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 0.00 116 N 8.13 5.62 0.00 2.68 2.75 0.00 0.00 6.53 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 0.00 117 D 9.55 5.22 0.00 3.05 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 0.00 118 M 9.10 5.30 0.00 1.93 1.87 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 2.53 2.49 0.00 119 F 9.05 5.06 0.00 2.83 2.26 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 0.00 120 R 7.27 4.49 0.00 1.21 1.45 0.00 3.15 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.44 0.00 121 L 8.18 4.58 0.00 1.50 1.60 1.12 0.95 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 0.00 122 A 8.77 4.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 L 8.82 4.38 0.00 1.54 1.61 0.91 1.05 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 0.00 124 H 8.07 4.81 0.00 3.10 3.11 0.00 5.68 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 N 8.36 4.93 0.00 2.73 2.63 0.00 0.00 6.50 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 0.00 126 F 8.54 4.31 0.00 2.81 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 * Residues marked with a * may have inaccurate shift predictions.