NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6367 8.2227 120.5368 54.5052 43.2716 177.2296 3 E 3.7256 8.1833 119.0716 58.2530 29.4846 176.8705 4 L 4.0445 8.6985 121.1790 58.4218 42.7108 178.4740 5 L 3.9237 7.8964 118.3538 57.5884 41.5811 178.8586 6 N 4.1996 8.3690 117.4105 56.5693 38.8391 176.9613 7 R 3.8448 8.1635 120.2629 59.0702 30.1316 178.2229 8 L 2.4731 7.4376 120.1287 57.5735 41.9165 178.8123 9 R 3.3725 7.3436 118.5112 59.4179 29.9660 178.2007 10 Q 3.8683 7.7961 119.1470 59.3198 29.1052 178.4158 11 T 3.8043 7.6078 116.8368 66.2777 68.4094 176.5656 12 W 4.1650 7.7078 120.7855 60.3477 28.9222 178.3542 13 H 4.3365 8.2274 114.9659 58.9001 28.2056 177.7674 14 S 4.3449 8.1945 115.4209 60.4713 63.1325 175.5477 15 T 4.6980 7.7566 110.8188 60.8365 70.7083 174.4930 16 I 4.4060 7.9385 122.7533 57.6001 38.2929 173.5388 17 P 4.2186 0.0000 0.0000 65.8093 31.0607 178.0915 18 V 3.7011 7.7786 116.4875 65.9635 31.4702 178.0897 19 S 4.0761 8.1750 114.1419 61.0708 62.5564 176.2114 20 E 3.6167 7.3029 119.6430 58.7061 29.4773 179.4781 21 F 4.2333 7.8964 118.3085 58.2672 40.0184 174.9412 *23 Q 4.1675 8.0307 112.4442 55.2176 29.1002 175.8031 24 I 4.3880 7.8313 119.6831 61.0574 38.2640 176.7171 25 A 4.9687 9.0896 127.5254 49.8045 22.9222 173.8157 26 P 4.6112 0.0000 0.0000 63.2110 31.7713 176.0856 27 L 4.6454 9.2101 124.0744 56.1478 43.1380 176.7351 28 S 4.6163 7.6118 110.3264 57.8882 66.1411 174.3433 29 F 5.4675 8.7728 122.5131 57.2057 40.9707 173.0963 30 T 4.2857 8.3062 119.3058 61.1182 70.3778 173.1964 31 D 3.9740 9.4532 125.4392 55.3890 39.8366 174.0062 32 G 3.8653 7.8719 102.1357 45.1480 0.0000 172.6025 33 E 4.9280 7.9365 120.5962 53.9929 32.6734 174.2344 34 L 5.3245 9.1175 129.3115 53.9675 44.2201 175.0578 35 S 5.4023 9.3882 122.2570 56.8621 66.0871 173.3363 36 V 4.9930 9.0068 123.2997 61.6668 35.6092 173.8933 37 S 4.8866 8.8787 118.6986 57.8457 66.5439 172.1632 38 A 4.7740 8.0550 120.8251 50.5425 21.2804 174.5158 39 P 4.5240 0.0000 0.0000 62.2579 32.5553 176.6364 40 L 3.9961 8.8107 121.0512 58.6619 42.0260 178.9223 41 A 3.7903 7.5108 118.9964 55.0664 18.8335 176.6223 42 P 4.2865 0.0000 0.0000 64.4453 31.8648 176.7905 43 N 4.9298 8.0463 116.3917 52.9356 38.5550 174.9749 44 I 4.5722 7.7154 111.9582 59.8689 39.0657 174.1927 45 N 5.0612 8.0192 116.9184 51.1422 39.9587 173.7967 46 L 3.8189 8.7728 118.5742 59.2988 41.9189 178.4759 47 H 4.6424 8.1754 111.8121 55.5179 28.5018 174.4259 48 H 3.9600 8.0540 117.6873 57.2666 28.3282 175.2205 49 T 4.1625 7.6781 106.3058 62.1018 70.4281 173.4066 *51 F 4.8291 7.8077 119.2362 56.9391 42.1734 175.2389 52 A 3.9028 8.3560 126.9484 55.4286 17.9642 180.2579 53 G 3.1419 5.3800 103.3252 47.6431 0.0000 176.1437 54 S 4.1965 7.4843 116.9821 61.3054 62.7634 176.4073 55 I 3.6699 7.6654 121.6477 64.6314 37.0106 177.4224 56 Y 4.1316 7.8220 118.5744 61.1236 38.9525 177.9933 57 T 3.9945 8.2037 116.6973 66.3820 68.4978 177.1031 58 I 3.6660 7.8156 118.8170 61.6152 37.7930 177.7021 *60 T 3.9082 7.8737 116.0189 62.9719 70.3375 176.4828 61 L 3.7816 7.4592 120.7934 57.5092 41.0655 179.7613 62 T 4.1430 7.5296 115.6587 66.4255 68.4485 176.6860 63 G 3.7029 7.7858 107.4202 46.8620 0.0000 174.8472 64 W 4.3823 8.4679 131.5152 60.0497 30.5990 179.6346 65 G 4.2767 8.9617 104.4134 45.1797 0.0000 175.4205 *67 V 3.9055 7.7775 121.9872 62.2286 33.5825 177.1362 68 W 3.8562 8.0966 128.9501 60.4986 30.3806 177.9319 69 L 3.7407 8.2548 119.1264 57.8627 41.0379 179.6077 70 Q 3.5829 7.5194 117.3834 58.5957 28.0382 178.6101 71 Q 3.7984 7.8218 119.4937 58.8216 28.7283 178.6510 72 Q 3.6557 7.5311 118.9730 58.9194 28.4784 178.9957 73 L 3.9345 7.6181 118.6393 56.9874 41.6929 178.3788 74 L 4.1739 7.3790 117.7221 53.9287 42.7209 175.2567 75 N 4.0439 7.7931 115.1049 55.6053 37.5723 173.2865 76 V 4.5350 7.7071 108.0780 59.3937 35.8889 174.7318 77 D 4.8911 7.4172 118.3831 51.6120 44.2764 174.4761 78 G 4.0803 8.0081 107.7880 45.2988 0.0000 172.6222 79 D 4.6205 8.6941 123.2068 54.3305 42.4444 175.0546 80 I 4.7139 8.4755 126.9862 60.0861 38.2941 175.1339 81 V 4.5627 8.8407 127.6636 60.8416 34.6557 174.0946 82 L 4.4230 8.7134 129.7352 54.2810 41.8687 175.8919 83 A 4.3620 8.9748 130.4392 54.8218 19.1606 176.7364 84 D 4.6207 7.7479 111.5985 53.1200 42.3990 174.5405 85 A 4.7948 8.2370 119.4496 51.0690 22.3985 175.0126 86 H 4.9007 8.7737 119.7561 54.2733 33.0023 172.3140 87 I 4.9676 8.2371 124.5153 59.2025 41.2602 174.1982 88 R 4.5654 8.8270 127.5352 54.5644 33.3310 174.0401 89 Y 4.5893 8.7555 121.8706 56.9686 38.2668 175.2903 90 L 4.4939 8.8299 125.5036 56.5113 42.9032 177.2144 91 A 4.5388 7.6447 117.8455 50.1312 21.7536 173.9994 92 P 4.3112 0.0000 0.0000 62.8405 31.8956 176.3039 93 V 4.1345 8.2786 120.8121 62.0144 31.6020 175.4575 94 T 4.4309 8.3303 117.0851 61.4099 69.2837 173.8156 95 S 4.4056 7.5818 114.9599 57.2477 65.2800 174.1022 96 A 3.9986 8.7046 123.5702 52.5026 17.9051 175.7975 97 P 4.8860 0.0000 0.0000 62.4221 33.8350 175.1340 98 E 4.6694 9.2953 119.4209 54.7138 32.0542 175.5929 99 V 4.8318 8.9850 126.2136 61.2874 33.3166 174.7630 100 K 5.9400 9.7392 127.3696 53.8967 36.2046 175.6260 101 V 4.8773 8.2844 120.7057 60.4075 34.8486 173.3929 102 R 5.2031 8.6267 123.0148 54.1477 32.9489 174.6565 103 W 4.6943 8.5003 134.4939 56.4663 31.2806 174.5325 104 P 4.3820 0.0000 0.0000 62.1304 32.3385 176.3454 105 D 4.6109 8.0775 117.9085 53.1263 39.2553 173.4134 106 T 4.6053 6.7955 109.9995 60.8489 72.1769 172.3451 107 N 5.4269 8.3720 117.5731 52.5437 40.3249 173.6728 108 L 4.8643 8.4115 115.3824 54.3373 42.5330 179.0310 109 S 4.2937 8.4982 117.7681 61.5484 62.4303 173.9986 110 P 4.2769 0.0000 0.0000 65.5498 31.0895 178.3603 111 L 4.2965 7.9850 118.9892 57.2312 41.2431 179.3610 112 Q 4.1531 8.3011 117.4252 57.7668 28.6324 177.6457 113 R 4.5626 7.6239 116.9459 55.0049 30.7068 175.8673 114 G 3.9002 7.9156 106.0825 46.9071 0.0000 174.0772 115 R 4.8965 8.1178 117.6383 53.2760 34.0694 175.7607 116 K 4.4608 8.7576 120.9317 57.0462 33.9052 175.9141 117 A 4.7881 9.0599 124.0101 50.2396 21.6851 175.1545 118 K 5.2181 8.7871 122.0251 54.8926 34.7409 176.3317 119 V 4.4473 8.9305 122.3393 60.1818 35.2321 173.3910 120 K 4.8941 8.5990 124.9788 55.1368 33.3394 175.0866 121 L 4.8258 9.2148 128.1644 52.9566 44.6457 175.0641 122 E 5.0546 8.8528 124.0043 54.7357 31.0817 174.8628 123 V 4.7569 9.2416 127.6790 61.2466 34.5477 174.2392 124 Q 4.8995 9.2178 125.8878 53.8984 32.7485 173.9004 125 L 5.0508 8.2468 124.7685 53.3135 44.4990 175.0295 126 F 5.4573 9.4474 125.0263 55.9136 42.7457 174.1981 127 C 4.8479 8.8613 121.8526 58.2044 34.6926 173.6838 128 D 4.3089 9.9775 126.3435 55.5495 37.9585 174.9092 129 G 3.9899 8.7018 105.3494 45.3845 0.0000 174.0761 130 K 4.6679 7.8112 119.4092 53.9882 34.4037 175.3604 131 L 4.0620 8.6052 124.8796 55.3823 42.1537 175.9968 132 C 4.7424 8.8242 123.8140 60.1449 30.4997 173.5217 133 A 4.9382 7.4048 118.9735 50.6384 22.4274 174.7150 134 Q 4.8625 8.8920 122.0236 54.1498 32.3909 174.1104 135 F 5.2771 9.2173 127.5289 56.5432 43.3016 173.0087 136 D 5.2810 8.7395 125.2050 52.5576 44.1099 174.8898 137 G 4.1483 9.1104 110.6545 44.0556 0.0000 171.0130 138 L 5.0777 8.5097 125.1615 53.7400 43.4154 174.5640 139 Y 5.1950 9.1526 125.2422 56.3240 40.5858 175.1447 140 V 4.6757 8.9933 123.3473 61.2448 34.9789 174.1660 141 S 5.1235 9.3138 124.0859 56.9919 65.0309 173.1763 142 V 4.5657 8.6516 126.3994 60.0471 33.2645 173.9938 143 P 4.4289 0.0000 0.0000 63.0813 31.2000 176.1710 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 2 D 8.22 4.64 0.00 2.73 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 3 E 8.18 3.73 0.00 2.16 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 0.00 2.39 2.51 0.00 4 L 8.70 4.04 0.00 1.84 1.72 0.84 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 5 L 7.90 3.92 0.00 1.71 1.63 0.96 0.52 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 6 N 8.37 4.20 0.00 2.84 2.94 0.00 0.00 6.78 7.71 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 7 R 8.16 3.84 0.00 2.11 2.30 0.00 3.32 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.98 0.00 8 L 7.44 2.47 0.00 0.81 1.15 -0.29 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 9 R 7.34 3.37 0.00 1.66 1.85 0.00 3.13 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.50 0.00 10 Q 7.80 3.87 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 11 T 7.61 3.80 3.88 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 1.23 0.00 0.00 12 W 7.71 4.16 0.00 3.38 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 13 H 8.23 4.34 0.00 3.11 3.37 0.00 5.67 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 14 S 8.19 4.34 0.00 4.05 4.03 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 T 7.76 4.70 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 1.30 0.00 0.00 16 I 7.94 4.41 1.86 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.58 0.80 0.00 0.00 17 P 0.00 4.22 0.00 2.14 2.13 0.00 3.59 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 18 V 7.78 3.70 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 1.12 0.00 0.00 0.92 0.00 0.00 19 S 8.17 4.08 0.00 3.91 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 20 E 7.30 3.62 0.00 2.01 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 2.29 2.19 0.00 21 F 7.90 4.23 0.00 3.05 3.19 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 *23 Q 8.03 4.17 0.00 1.92 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.70 0.00 0.00 0.00 0.00 0.00 2.16 2.40 0.00 24 I 7.83 4.39 1.77 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.41 0.67 0.00 0.00 25 A 9.09 4.97 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 26 P 0.00 4.61 0.00 1.88 1.95 0.00 3.57 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 1.76 1.76 0.00 27 L 9.21 4.65 0.00 1.57 1.74 0.96 0.82 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 28 S 7.61 4.62 0.00 3.89 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 29 F 8.77 5.47 0.00 2.89 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 30 T 8.31 4.29 4.18 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 1.19 0.00 0.00 31 D 9.45 3.97 0.00 2.75 2.63 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 32 G 7.87 3.87 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 0.00 0.00 0.00 33 E 7.94 4.93 0.00 2.10 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 2.28 2.44 0.00 34 L 9.12 5.32 0.00 1.90 1.64 1.01 0.79 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 35 S 9.39 5.40 0.00 3.81 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 36 V 9.01 4.99 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 1.13 0.00 0.00 1.15 0.00 0.00 37 S 8.88 4.89 0.00 3.95 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 38 A 8.05 4.77 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 39 P 0.00 4.52 0.00 2.16 2.04 0.00 3.83 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.13 0.00 40 L 8.81 4.00 0.00 1.77 1.72 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.51 3.79 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 42 P 0.00 4.29 0.00 1.56 1.65 0.00 3.66 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.72 0.00 43 N 8.05 4.93 0.00 2.84 2.94 0.00 0.00 7.00 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 44 I 7.72 4.57 1.73 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.52 0.75 0.00 0.00 45 N 8.02 5.06 0.00 2.95 3.10 0.00 0.00 5.53 6.67 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 46 L 8.77 3.82 0.00 1.50 1.56 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 47 H 8.18 4.64 0.00 3.23 3.31 0.00 5.91 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 48 H 8.05 3.96 0.00 3.31 3.36 0.00 5.72 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 7.68 4.16 4.39 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 1.32 0.00 0.00 *51 F 7.81 4.83 0.00 3.30 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 52 A 8.36 3.90 0.77 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 0.00 0.00 53 G 5.38 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 0.00 0.00 0.00 54 S 7.48 4.20 0.00 4.13 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 55 I 7.67 3.67 2.26 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.68 0.93 0.00 0.00 56 Y 7.82 4.13 0.00 3.03 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 57 T 8.20 3.99 4.38 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 1.10 0.00 0.00 58 I 7.82 3.67 1.77 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 1.42 1.22 0.91 0.00 0.00 *60 T 7.87 3.91 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 1.25 0.00 0.00 61 L 7.46 3.78 0.00 0.93 0.13 0.07 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.53 4.14 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 1.26 0.00 0.00 63 G 7.79 3.70 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 0.00 0.00 0.00 64 W 8.47 4.38 0.00 3.69 3.45 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 0.00 65 G 8.96 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 0.00 0.00 0.00 0.00 *67 V 7.78 3.91 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 0.95 0.00 0.00 0.84 0.00 0.00 68 W 8.10 3.86 0.00 2.99 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 69 L 8.25 3.74 0.00 1.32 1.15 0.04 1.07 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 70 Q 7.52 3.58 0.00 1.47 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 1.56 1.16 0.00 71 Q 7.82 3.80 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 72 Q 7.53 3.66 0.00 1.83 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 1.39 1.16 0.00 73 L 7.62 3.93 0.00 1.58 1.63 0.93 0.81 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 74 L 7.38 4.17 0.00 1.62 1.68 0.94 0.99 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 75 N 7.79 4.04 0.00 2.82 2.79 0.00 0.00 6.90 7.69 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 76 V 7.71 4.53 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 0.75 0.00 0.00 0.84 0.00 0.00 77 D 7.42 4.89 0.00 2.47 2.43 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 78 G 8.01 4.08 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 0.00 79 D 8.69 4.62 0.00 2.87 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.48 4.71 1.41 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.63 0.68 0.00 0.00 81 V 8.84 4.56 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 1.10 0.00 0.00 1.03 0.00 0.00 82 L 8.71 4.42 0.00 1.60 1.60 0.28 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.97 4.36 1.28 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 0.00 0.00 84 D 7.75 4.62 0.00 2.63 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 85 A 8.24 4.79 0.93 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 0.00 0.00 86 H 8.77 4.90 0.00 3.10 2.99 0.00 5.73 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 87 I 8.24 4.97 2.04 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.01 0.99 0.00 0.00 88 R 8.83 4.57 0.00 1.61 1.73 0.00 3.16 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.30 0.00 89 Y 8.76 4.59 0.00 2.82 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 90 L 8.83 4.49 0.00 1.59 1.72 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.64 4.54 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 92 P 0.00 4.31 0.00 2.22 2.09 0.00 3.78 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 1.97 0.00 93 V 8.28 4.13 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 0.92 0.00 0.00 0.98 0.00 0.00 94 T 8.33 4.43 4.27 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 1.24 0.00 0.00 95 S 7.58 4.41 0.00 3.97 3.88 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 A 8.70 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 97 P 0.00 4.89 0.00 2.13 2.12 0.00 3.93 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.01 0.00 98 E 9.30 4.67 0.00 2.02 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 0.00 2.26 2.27 0.00 99 V 8.99 4.83 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 0.99 0.00 0.00 0.91 0.00 0.00 100 K 9.74 5.94 0.00 1.89 1.77 0.00 1.65 0.00 0.00 1.96 0.00 0.00 2.85 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.39 7.81 101 V 8.28 4.88 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 0.79 0.00 0.00 1.13 0.00 0.00 102 R 8.63 5.20 0.00 1.90 1.90 0.00 3.29 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 103 W 8.50 4.69 0.00 3.52 3.07 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 0.00 104 P 0.00 4.38 0.00 1.95 1.87 0.00 2.64 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.62 0.00 105 D 8.08 4.61 0.00 2.61 2.60 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 0.00 0.00 0.00 0.00 106 T 6.80 4.61 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 1.09 0.00 0.00 107 N 8.37 5.43 0.00 2.90 2.95 0.00 0.00 5.78 7.79 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 0.00 108 L 8.41 4.86 0.00 1.72 1.71 0.87 0.98 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 0.00 109 S 8.50 4.29 0.00 4.07 4.20 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 0.00 110 P 0.00 4.28 0.00 2.27 2.17 0.00 3.64 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 2.14 2.21 0.00 111 L 7.99 4.30 0.00 1.80 1.70 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.30 4.15 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 113 R 7.62 4.56 0.00 1.89 1.93 0.00 3.47 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 1.55 1.61 0.00 114 G 7.92 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 0.00 0.00 0.00 115 R 8.12 4.90 0.00 1.81 1.80 0.00 3.30 0.00 0.00 3.23 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 116 K 8.76 4.46 0.00 1.89 1.83 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.47 7.81 117 A 9.06 4.79 1.28 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 0.00 0.00 118 K 8.79 5.22 0.00 1.65 1.75 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.39 1.43 7.81 119 V 8.93 4.45 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 1.00 0.00 0.00 0.44 0.00 0.00 120 K 8.60 4.89 0.00 1.76 1.72 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.68 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.34 1.44 7.81 121 L 9.21 4.83 0.00 1.90 1.68 0.79 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.85 5.05 0.00 2.00 1.90 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 2.27 2.53 0.00 123 V 9.24 4.76 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 0.00 124 Q 9.22 4.90 0.00 2.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.54 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 125 L 8.25 5.05 0.00 1.60 1.35 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 126 F 9.45 5.46 0.00 3.02 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 0.00 127 C 8.86 4.85 0.00 2.98 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 0.00 128 D 9.98 4.31 0.00 2.90 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 0.00 129 G 8.70 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 0.00 0.00 0.00 130 K 7.81 4.67 0.00 2.00 1.75 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.39 7.81 131 L 8.61 4.06 0.00 1.56 1.56 0.30 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 132 C 8.82 4.74 0.00 2.85 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 0.00 133 A 7.40 4.94 1.03 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 0.00 0.00 134 Q 8.89 4.86 0.00 2.06 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.71 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 135 F 9.22 5.28 0.00 2.93 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 0.00 136 D 8.74 5.28 0.00 2.43 2.44 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 0.00 137 G 9.11 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 0.00 0.00 0.00 138 L 8.51 5.08 0.00 1.73 1.62 1.00 0.84 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 0.00 139 Y 9.15 5.19 0.00 3.05 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 0.00 140 V 8.99 4.68 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 1.10 0.00 0.00 0.97 0.00 0.00 141 S 9.31 5.12 0.00 3.88 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 0.00 142 V 8.65 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 1.10 0.00 0.00 0.97 0.00 0.00 143 P 0.00 4.43 0.00 2.22 2.02 0.00 3.86 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 2.00 2.02 0.00 * Residues marked with a * may have inaccurate shift predictions.