NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.4429 8.3193 115.4153 57.7472 64.9109 172.3435 -1 N 4.5496 7.5690 117.2293 51.5014 39.9343 173.9844 0 A 4.2100 8.3134 121.2961 52.5028 16.8373 177.6288 3 E 4.2422 8.6807 126.5703 56.1025 29.7197 176.8358 4 I 3.5874 7.6790 117.3419 64.3889 37.2611 177.6139 5 F 4.4593 7.9749 117.0597 60.2080 39.6182 177.2107 6 I 3.9343 7.8561 121.0183 64.2917 37.2776 176.7770 7 R 4.5934 7.5074 119.0823 56.0345 29.9462 176.8485 8 A 4.1868 7.6071 119.9569 51.6941 19.4611 177.8516 9 N 4.4053 8.6671 119.2900 53.5556 39.3721 175.7252 10 Q 3.7491 8.8971 126.3735 59.3555 29.2119 178.3991 11 R 3.8335 8.1146 119.7351 59.1187 29.9487 178.5495 12 S 4.2999 8.2273 114.4798 60.5020 62.5841 174.7912 13 Y 5.1548 7.0586 117.9804 56.5142 38.7801 176.1783 14 S 4.4187 7.8496 115.7519 58.4094 64.7569 173.2616 15 V 4.6079 8.3684 122.7004 62.4862 32.4186 174.9151 16 Q 4.9282 9.6015 126.7052 54.1265 31.9563 174.2559 17 A 5.3934 8.6439 124.3727 50.7858 20.9495 176.5750 18 R 4.6437 9.1967 120.2451 54.2305 34.7103 174.4253 19 S 5.0665 8.5932 117.2290 57.3879 64.4920 173.3425 20 L 4.8395 9.1746 124.1320 52.7434 45.6629 175.8537 21 R 4.7283 9.0078 123.3391 55.2075 30.6536 175.6096 22 L 3.9330 8.5079 128.2911 54.2826 43.1553 177.3925 23 H 4.3016 9.5182 123.7272 56.9084 25.9957 175.6044 24 G 3.8682 8.1661 107.3729 44.9037 0.0000 172.5242 25 V 4.2995 7.4745 120.3861 60.5574 33.4649 174.7171 26 A 4.5355 8.6438 130.7030 52.6315 19.0421 176.5618 27 T 4.5878 9.2748 119.3740 61.7214 72.9160 173.2887 28 S 4.7832 8.8899 121.6045 58.1093 63.2249 173.0616 29 V 4.3996 9.4239 128.6131 61.5318 33.2320 174.5349 30 R 5.2559 8.7741 127.0505 54.7027 31.8942 175.2861 31 L 4.7770 9.0553 123.6890 52.2173 46.3201 176.2420 32 E 4.4838 9.0110 121.0105 57.1869 30.2412 177.7414 33 Q 4.2456 9.2081 124.8715 59.8223 29.0268 179.2722 34 L 4.0876 8.2151 121.0316 57.9529 41.9077 178.9862 35 F 4.1325 7.7314 117.7763 60.2696 38.7431 177.4759 36 W 4.5136 8.0560 118.0121 60.0011 28.9020 178.0350 37 D 4.4372 8.4729 118.7996 57.5498 40.2486 179.1762 38 V 3.6523 8.0319 118.6978 65.9574 31.4511 178.0381 39 L 3.9338 8.3090 119.0838 57.8519 41.3945 179.3556 40 E 3.9997 8.6642 118.8969 59.2567 29.3876 179.0370 41 E 3.9247 8.2585 119.4239 59.2548 29.5159 178.9144 42 I 3.3431 7.5395 118.4778 64.1369 37.5252 177.9174 43 A 4.1061 8.1637 121.4655 55.2970 18.4082 179.5023 44 A 3.9713 8.1659 119.3079 55.3309 18.1623 179.6969 45 R 3.9548 7.9418 116.3961 58.7606 30.1029 177.0125 46 D 4.8373 7.7146 116.3495 53.7109 41.4720 175.6423 47 G 3.6605 7.4591 109.8433 46.1290 0.0000 174.2624 *49 R 4.1497 7.5265 121.4884 55.9712 33.0902 176.1543 50 V 3.7242 8.3096 122.1926 65.2006 31.2932 178.8168 51 T 3.9249 7.8757 109.9126 64.8134 68.6339 176.1577 52 Q 3.9838 8.0608 122.2464 58.4236 29.0893 177.5188 53 L 3.9903 8.1135 121.4738 58.4360 42.0602 179.1761 54 I 3.9434 8.0053 119.5401 64.5849 37.0760 178.3662 55 E 4.0538 8.5098 119.4842 59.3836 29.1794 179.6899 56 R 3.9827 8.3499 118.2948 59.1848 30.0707 178.9527 57 L 4.1135 8.3141 118.9490 57.9963 41.6837 178.7810 58 Y 3.5961 8.5192 119.6356 60.8210 38.5286 177.9406 59 D 4.2692 8.0966 119.5161 57.6530 40.9759 178.9200 60 E 4.0099 8.4322 119.0310 59.0694 29.3499 179.1555 61 L 3.8457 8.0770 120.9112 58.0102 42.0053 179.1571 62 V 3.5231 7.3845 118.2197 66.1009 31.1686 178.0888 63 Q 3.9650 7.6364 116.7602 58.8755 28.5784 177.7406 64 Y 4.3652 7.8871 119.8466 60.1556 39.0946 176.8974 65 R 4.2402 8.4061 116.2863 55.7725 31.1700 177.1039 66 G 3.9635 9.9755 107.6862 45.1831 0.0000 172.5802 67 E 4.4363 7.1599 114.3894 55.9092 32.4025 174.8962 68 A 4.4621 7.8329 118.5130 50.4023 18.5384 175.8493 69 A 4.1559 7.6346 124.4022 52.4679 19.8454 177.0870 70 N 4.2876 8.8408 114.5881 54.2940 36.6003 176.9845 71 F 4.4223 8.4212 120.9795 61.7010 39.7596 175.8272 72 T 3.6579 7.9558 115.0000 66.7231 68.3783 176.6246 73 S 3.9662 7.9869 116.5415 61.3459 62.7887 176.2692 74 F 4.0818 8.3044 123.5308 61.3896 39.2520 177.1653 75 L 3.5272 7.5407 118.3586 57.5543 41.2986 179.7218 76 R 3.0072 7.2869 117.6965 59.0686 29.9388 179.3789 77 V 3.5516 7.5377 117.7844 65.8396 31.3621 177.7088 78 C 3.8641 7.7911 117.1370 62.9875 27.7989 175.9790 79 C 4.2032 7.7586 117.7388 62.6038 27.6800 175.9352 80 L 4.0067 8.1273 121.9233 58.3228 41.6822 179.1999 81 R 3.9084 8.4577 118.4437 59.2987 29.9641 178.1570 82 Y 4.2183 8.2321 119.4518 61.1731 38.7281 178.5902 83 Q 3.7754 7.9979 118.4710 58.6230 28.7234 178.5629 84 V 3.5445 7.9949 119.5781 66.2097 31.4905 178.1606 85 L 3.9328 8.0731 118.6501 57.7106 41.4048 179.4984 86 Q 4.2708 8.0927 119.1154 58.4817 28.4446 178.7915 87 A 3.9730 8.0939 120.6325 55.0157 18.4916 178.7744 88 E 4.2160 8.3087 114.8408 56.4659 29.7618 177.6938 89 G 3.8854 7.7729 107.1250 46.1762 0.0000 174.9246 90 R 4.1360 8.2754 120.8951 57.0755 30.7140 177.0052 91 I 4.4174 7.1926 118.7571 58.3477 38.9956 173.2716 92 P 4.3703 0.0000 0.0000 62.5607 31.7219 176.6758 93 A 4.0878 8.4508 124.9684 54.7229 18.9080 177.1003 94 D 4.3439 8.0003 115.5974 54.1563 40.8475 176.3444 95 A 4.3013 8.5055 129.5441 53.7615 18.5384 177.7479 96 T 3.8920 8.2894 110.4762 63.3370 67.5468 174.2023 97 V 4.0845 7.4003 121.0894 60.9841 31.4917 173.7253 98 P 4.4767 0.0000 0.0000 62.3674 32.1653 177.9650 99 I 3.8031 8.7273 122.4087 64.6216 37.2292 178.6384 100 R 4.0924 8.5745 118.7012 58.2883 29.8993 177.5349 101 S 4.4264 7.7604 111.2615 58.8188 63.6640 174.5262 102 L 4.2082 7.5024 121.4531 54.2954 42.4309 176.5898 103 D 4.6115 8.3573 119.6070 53.0874 41.7900 176.7697 104 A 4.0122 8.5088 130.5484 55.2678 18.5381 178.9167 105 Q 3.9774 8.1785 115.2930 59.0625 28.5454 178.3953 106 A 3.9870 7.7285 122.4715 54.8424 18.4909 179.4023 107 V 3.6101 7.5565 116.1473 65.7836 32.0525 177.5816 108 L 4.0051 7.8138 118.0516 54.7300 42.0906 177.2402 109 R 3.9509 7.0568 115.5256 57.4986 29.5846 177.2746 110 G 3.9739 8.9055 108.7911 45.4025 0.0000 173.7102 111 L 4.2112 7.2734 119.2570 53.5403 42.4533 175.3444 112 P 4.4770 0.0000 0.0000 62.6710 31.8040 177.3068 113 A 4.0611 8.4483 122.1638 54.3525 18.4722 178.4177 114 N 4.5894 8.1239 111.7465 54.0730 37.8986 175.6667 115 L 4.5552 7.7371 118.1401 55.1509 42.6489 175.3576 116 Y 4.7154 7.4718 114.3516 56.4152 40.0541 172.5478 117 D 4.6766 8.6126 120.4490 52.3339 42.5857 176.6061 118 S 4.2813 8.2645 120.9112 60.1880 63.5532 174.2967 119 R 4.0704 8.0704 123.1151 55.3565 29.9954 174.4025 120 P 4.6390 0.0000 0.0000 61.9399 32.4016 176.0345 121 L 4.2221 8.1632 119.1483 54.4327 42.2426 177.7534 122 G 3.7897 8.6233 108.8091 46.0574 0.0000 173.5937 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 S 8.32 4.44 0.00 4.00 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 -1 N 7.57 4.55 0.00 2.88 2.83 0.00 0.00 6.08 6.38 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 A 8.31 4.21 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 3 E 8.68 4.24 0.00 2.37 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 0.00 2.22 2.35 0.00 4 I 7.68 3.59 1.48 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.61 0.29 0.00 0.00 5 F 7.97 4.46 0.00 3.05 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 6 I 7.86 3.93 1.91 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 1.48 1.45 0.95 0.00 0.00 7 R 7.51 4.59 0.00 1.88 1.94 0.00 3.23 0.00 0.00 3.38 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 8 A 7.61 4.19 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 9 N 8.67 4.41 0.00 2.75 2.74 0.00 0.00 6.65 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Q 8.90 3.75 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.66 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 11 R 8.11 3.83 0.00 1.89 2.07 0.00 3.14 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 12 S 8.23 4.30 0.00 4.13 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 13 Y 7.06 5.15 0.00 2.98 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 14 S 7.85 4.42 0.00 3.92 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 15 V 8.37 4.61 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 0.92 0.00 0.00 1.01 0.00 0.00 16 Q 9.60 4.93 0.00 2.23 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.78 0.00 17 A 8.64 5.39 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 9.20 4.64 0.00 1.33 1.44 0.00 2.21 0.00 0.00 2.57 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.50 0.00 19 S 8.59 5.07 0.00 3.87 3.86 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 20 L 9.17 4.84 0.00 1.67 1.62 1.26 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 21 R 9.01 4.73 0.00 1.79 1.84 0.00 3.21 0.00 0.00 3.21 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 22 L 8.51 3.93 0.00 1.07 0.13 0.69 0.88 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 23 H 9.52 4.30 0.00 3.30 3.42 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.17 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 25 V 7.47 4.30 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 1.01 0.00 0.00 0.91 0.00 0.00 26 A 8.64 4.54 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 27 T 9.27 4.59 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 1.25 0.00 0.00 28 S 8.89 4.78 0.00 3.92 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 9.42 4.40 2.48 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 1.03 0.00 0.00 1.14 0.00 0.00 30 R 8.77 5.26 0.00 1.76 1.93 0.00 3.26 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 31 L 9.06 4.78 0.00 0.36 0.97 -0.32 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 32 E 9.01 4.48 0.00 2.40 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 2.63 2.56 0.00 33 Q 9.21 4.25 0.00 2.30 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 34 L 8.22 4.09 0.00 1.80 1.35 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 35 F 7.73 4.13 0.00 3.13 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 36 W 8.06 4.51 0.00 3.59 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 37 D 8.47 4.44 0.00 2.91 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 38 V 8.03 3.65 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 1.20 0.00 0.00 1.01 0.00 0.00 39 L 8.31 3.93 0.00 2.00 1.79 0.70 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.66 4.00 0.00 2.20 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 2.42 2.79 0.00 41 E 8.26 3.92 0.00 2.09 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 2.38 2.41 0.00 42 I 7.54 3.34 1.77 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.11 0.03 0.68 0.00 0.00 43 A 8.16 4.11 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 44 A 8.17 3.97 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 45 R 7.94 3.95 0.00 2.02 2.16 0.00 3.37 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 46 D 7.71 4.84 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.46 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 R 7.53 4.15 0.00 1.91 1.91 0.00 3.14 0.00 0.00 3.39 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 50 V 8.31 3.72 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 1.01 0.00 0.00 1.14 0.00 0.00 51 T 7.88 3.92 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 1.21 0.00 0.00 52 Q 8.06 3.98 0.00 2.17 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.91 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 53 L 8.11 3.99 0.00 1.84 1.88 0.95 0.92 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 54 I 8.01 3.94 2.07 0.00 0.00 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 1.65 0.84 1.29 0.00 0.00 55 E 8.51 4.05 0.00 2.07 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 0.00 2.52 2.51 0.00 56 R 8.35 3.98 0.00 2.15 2.03 0.00 3.27 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 57 L 8.31 4.11 0.00 2.24 2.20 1.04 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 58 Y 8.52 3.60 0.00 2.56 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 59 D 8.10 4.27 0.00 2.95 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 60 E 8.43 4.01 0.00 1.98 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 2.46 2.47 0.00 61 L 8.08 3.85 0.00 1.47 1.44 0.57 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 62 V 7.38 3.52 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 1.00 0.00 0.00 0.31 0.00 0.00 63 Q 7.64 3.96 0.00 2.20 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 64 Y 7.89 4.37 0.00 2.91 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.41 4.24 0.00 1.98 1.85 0.00 3.29 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 66 G 9.98 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 67 E 7.16 4.44 0.00 1.97 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 2.11 2.22 0.00 68 A 7.83 4.46 0.54 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 69 A 7.63 4.16 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 70 N 8.84 4.29 0.00 2.97 2.94 0.00 0.00 6.58 8.13 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 71 F 8.42 4.42 0.00 3.39 3.23 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 72 T 7.96 3.66 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 1.10 0.00 0.00 73 S 7.99 3.97 0.00 4.02 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 74 F 8.30 4.08 0.00 3.13 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 75 L 7.54 3.53 0.00 1.43 1.30 0.56 0.51 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 76 R 7.29 3.01 0.00 1.66 1.31 0.00 2.78 0.00 0.00 2.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.19 0.00 77 V 7.54 3.55 1.93 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 0.93 0.00 0.00 0.91 0.00 0.00 78 C 7.79 3.86 0.00 2.85 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 79 C 7.76 4.20 0.00 3.50 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 80 L 8.13 4.01 0.00 1.96 1.69 0.97 0.86 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 81 R 8.46 3.91 0.00 1.92 1.99 0.00 3.22 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.75 0.00 82 Y 8.23 4.22 0.00 3.06 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.00 3.78 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.54 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 84 V 7.99 3.54 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 1.11 0.00 0.00 1.00 0.00 0.00 85 L 8.07 3.93 0.00 1.79 1.65 0.96 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 86 Q 8.09 4.27 0.00 1.99 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.25 1.78 0.00 87 A 8.09 3.97 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 88 E 8.31 4.22 0.00 1.90 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 2.32 2.51 0.00 89 G 7.77 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 0.00 0.00 0.00 90 R 8.28 4.14 0.00 1.84 2.05 0.00 3.08 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 91 I 7.19 4.42 1.75 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 1.43 1.50 0.91 0.00 0.00 92 P 0.00 4.37 0.00 2.04 1.98 0.00 3.68 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 93 A 8.45 4.09 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 94 D 8.00 4.34 0.00 2.69 2.59 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 95 A 8.51 4.30 1.33 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 0.00 0.00 0.00 96 T 8.29 3.89 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 1.30 0.00 0.00 97 V 7.40 4.08 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 0.85 0.00 0.00 0.94 0.00 0.00 98 P 0.00 4.48 0.00 2.23 1.97 0.00 3.67 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 99 I 8.73 3.80 1.98 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 1.55 0.97 0.96 0.00 0.00 100 R 8.57 4.09 0.00 1.88 2.00 0.00 3.16 0.00 0.00 3.29 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 101 S 7.76 4.43 0.00 4.00 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 0.00 102 L 7.50 4.21 0.00 1.76 1.64 0.94 0.85 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 0.00 103 D 8.36 4.61 0.00 2.70 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 0.00 104 A 8.51 4.01 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 0.00 105 Q 8.18 3.98 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 106 A 7.73 3.99 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 0.00 107 V 7.56 3.61 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 0.83 0.00 0.00 1.03 0.00 0.00 108 L 7.81 4.01 0.00 1.41 0.72 0.94 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 109 R 7.06 3.95 0.00 1.92 2.07 0.00 3.10 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.55 0.00 110 G 8.91 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 0.00 111 L 7.27 4.21 0.00 1.66 1.74 0.75 0.76 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 0.00 112 P 0.00 4.48 0.00 2.48 2.22 0.00 3.74 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 2.12 2.00 0.00 113 A 8.45 4.06 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.12 4.59 0.00 2.86 2.96 0.00 0.00 5.99 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 0.00 115 L 7.74 4.56 0.00 1.95 1.84 0.95 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 116 Y 7.47 4.72 0.00 3.07 2.84 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 0.00 117 D 8.61 4.68 0.00 2.75 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 0.00 118 S 8.26 4.28 0.00 4.03 3.78 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 0.00 119 R 8.07 4.07 0.00 1.84 2.11 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.63 0.00 120 P 0.00 4.64 0.00 2.27 2.09 0.00 3.90 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.03 0.00 121 L 8.16 4.22 0.00 1.63 1.62 0.83 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.62 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 * Residues marked with a * may have inaccurate shift predictions.