NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4029 8.3301 115.5427 58.0223 64.4890 172.9364 2 A 4.2777 8.3580 123.2577 50.6936 19.4072 172.1854 3 V 3.8515 9.7360 122.8308 62.5547 32.4127 174.3263 4 N 4.7604 8.8234 125.4524 52.5779 39.5827 174.5342 5 V 4.3047 8.0611 119.9643 61.2509 34.1934 174.3475 6 Y 4.9295 8.6786 124.0665 55.5950 41.0912 176.8229 7 S 4.2685 8.8589 115.3886 61.2404 63.0052 175.2970 8 T 4.3257 7.8794 108.9088 61.9361 69.3540 175.2016 9 S 4.3033 7.8859 119.2080 58.4592 63.4167 173.8533 10 V 3.9080 8.2107 123.9977 62.4480 31.7131 175.2450 11 T 4.6637 8.0074 115.9133 59.4338 72.0068 173.1931 12 S 4.2808 8.2415 117.5017 58.1460 63.3533 174.2786 13 D 4.5038 8.2448 121.4035 54.2529 41.1182 176.6652 14 N 4.5252 8.4382 118.6992 53.5416 39.2139 174.6207 15 L 4.6964 8.2152 120.7586 52.9926 43.7398 177.5478 16 S 4.6667 8.4046 116.9872 58.0318 65.0778 175.5977 17 R 4.0517 8.5203 118.9431 59.9802 29.0416 178.6278 18 H 4.2525 7.8653 116.4600 58.6866 28.8588 177.4082 19 D 4.4938 8.2894 120.6644 57.3484 40.6292 178.5144 20 M 4.2585 8.5662 119.1900 58.7118 32.3064 178.2511 21 L 4.0777 8.4026 119.1453 57.7629 41.6828 179.3515 22 A 4.0673 8.1801 120.7939 54.7824 18.3283 179.4030 23 W 4.2088 8.2650 126.6796 60.7805 30.8334 178.2961 24 I 3.2179 7.7871 119.5538 64.2781 36.5450 178.2526 25 N 4.2458 8.4779 117.6497 56.3577 38.0506 177.4655 26 E 3.9433 8.3728 120.1826 59.5600 29.3635 179.6505 27 S 3.9592 7.7754 114.0624 60.6376 62.9569 175.7172 28 L 4.2861 7.4533 118.1338 52.9893 43.2596 176.1432 29 Q 3.3717 7.2552 116.9747 57.2713 26.2770 171.3965 30 L 4.8197 7.7784 116.3399 53.0584 45.6575 176.4156 31 N 5.0980 8.0944 114.4327 52.8354 39.4034 175.4837 32 L 4.2524 8.3865 118.2738 55.2046 42.3872 177.8763 33 T 4.5455 9.1253 111.7282 61.4739 70.3217 174.6026 34 K 4.7121 7.7691 121.2361 53.7796 36.4098 176.9707 35 I 3.8192 8.6991 123.4390 64.7632 37.0656 178.4639 36 E 4.0610 8.4616 118.6934 59.3674 29.1736 178.7971 37 Q 4.1742 8.0403 117.2806 57.5613 28.9342 177.4956 38 L 4.1851 8.1583 120.3040 55.8054 41.6576 178.2115 39 C 4.3586 8.0112 115.9456 61.0695 28.7751 175.7412 40 S 3.4620 7.3895 115.2518 58.9081 62.8150 176.1047 41 G 3.0481 7.8798 110.1104 45.4869 0.0000 175.4453 42 A 3.5542 7.3683 121.8607 54.9536 18.2006 179.4881 43 A 3.7020 7.5481 118.7367 55.3837 18.4906 179.2061 44 Y 4.1656 7.2412 114.6570 61.4780 37.9564 178.4807 45 C 4.2129 8.0202 117.5583 63.0692 28.1999 176.1136 46 Q 4.1403 8.2764 120.9970 59.1890 28.5612 178.0511 47 F 4.5127 8.5889 119.3437 61.0910 38.9601 177.5509 48 M 4.5102 8.8349 118.3712 58.5426 31.4365 178.2450 49 D 4.5041 8.3220 118.3488 57.5473 41.1721 178.0941 50 M 3.4286 7.8282 117.8992 58.2707 32.2487 177.9945 51 L 3.8937 8.0140 118.2823 56.3935 43.0557 178.0143 52 F 4.9182 8.3206 118.9676 54.0928 39.6775 170.8967 53 P 4.6269 0.0000 0.0000 63.5081 31.7539 177.0613 54 G 4.1177 9.1612 111.8713 45.2321 0.0000 174.3766 55 S 4.3918 8.6311 114.7482 59.9888 63.5362 174.1060 56 I 4.5981 7.5747 120.6855 59.1859 39.9170 176.5428 57 A 4.4184 8.3292 127.9598 51.4149 16.3883 177.4579 58 L 4.0022 8.2704 127.2648 58.0592 42.7990 180.0436 *59 K 4.1115 8.1447 118.4240 56.6391 31.6910 179.6574 60 K 4.4276 7.8115 114.5582 56.8953 32.8787 177.1060 61 V 3.5648 7.4382 119.5783 62.6411 31.3760 176.0462 62 K 4.3162 8.8318 127.6944 54.9582 30.9329 177.2037 63 F 4.2894 8.4776 122.8017 59.3092 39.2541 176.6367 64 Q 4.6324 7.9078 118.2395 55.1496 29.1346 175.3160 65 A 4.2783 7.5418 120.5614 52.7649 18.6858 178.6426 66 K 4.7225 9.0315 119.8825 55.4537 34.7186 176.4688 67 L 4.4891 7.3729 118.3454 51.9199 44.8532 176.5569 68 E 3.4219 8.5385 122.8405 59.9081 29.3670 179.2746 69 H 4.2163 7.9204 114.1608 58.6397 28.5838 177.2889 70 E 4.3280 7.5933 122.7257 58.6317 29.1823 178.6347 71 Y 4.6523 7.4869 117.7929 60.7474 37.9206 178.6488 72 I 3.8689 8.0844 120.6264 64.4940 37.0725 178.3290 73 Q 4.0235 8.1825 118.8691 59.2681 28.5948 178.9538 74 N 4.2365 8.2709 117.2038 56.4049 38.5022 177.5780 75 F 4.0511 8.4602 119.2420 60.2519 38.9516 177.9649 76 K 4.2418 8.5584 118.7828 59.3165 31.7952 179.2933 77 I 3.7105 7.8035 120.2601 64.3484 36.9491 178.1796 78 L 3.9517 7.8705 120.9756 58.2950 41.8305 179.0057 79 Q 3.8738 8.4835 118.2067 58.8897 28.5758 178.7210 80 A 4.1387 8.2798 122.0231 54.9193 18.3894 179.9439 81 G 3.7685 8.2098 104.3546 48.9419 0.0000 175.8551 82 F 4.3895 8.7886 121.0067 60.2083 38.8444 177.6578 83 K 3.9538 8.5292 119.4021 59.6376 31.8125 178.6800 84 R 3.9418 8.0467 117.6781 59.3187 30.2163 177.3997 85 M 4.2515 8.2025 116.1889 54.1436 32.0666 176.5444 86 G 3.9407 7.7501 106.9523 46.4719 0.0000 174.1919 87 V 3.8772 7.8513 120.3954 62.0591 31.6700 175.1750 88 D 4.5789 9.1753 126.6121 54.3787 41.2465 175.7622 89 K 3.8554 7.4885 119.8420 56.4524 32.6450 176.0143 90 I 4.0081 8.0422 127.4502 60.7405 37.7898 175.2608 91 I 3.9578 8.1443 126.8983 59.8275 38.3722 175.8450 92 P 4.4115 0.0000 0.0000 61.0634 28.1853 176.4599 93 V 2.8213 7.2590 124.6029 66.7013 31.3113 176.4889 94 D 4.2939 7.8863 118.1184 56.6468 38.5578 178.6360 95 K 4.0696 7.7721 119.1858 58.7833 32.0748 179.2443 96 L 3.9843 7.3764 119.1946 57.5780 41.4596 179.5322 97 V 4.1354 7.4103 109.5561 62.8571 31.6519 177.1321 98 K 4.2030 7.4506 114.9444 56.3995 32.0717 177.4578 99 G 3.8967 8.3728 109.5721 47.0890 0.0000 175.2416 100 K 4.2275 7.3791 122.1342 55.9529 33.0111 180.5302 101 F 4.2887 8.8861 126.5733 60.6168 39.5148 177.0947 102 Q 3.9776 8.2814 118.6782 59.4218 28.9307 177.9183 103 D 4.3674 8.0376 119.3337 57.5214 40.9875 178.3918 104 N 4.5317 8.1762 117.0536 56.1416 38.5349 177.3873 105 F 4.4568 8.7361 125.0349 61.8287 39.3952 177.7231 106 E 3.9192 8.5012 118.3388 61.1219 29.4769 180.8261 107 F 4.5006 8.4890 122.2624 61.1289 39.4285 177.7115 108 V 4.0312 8.3523 118.8787 64.8317 31.0869 178.3907 109 Q 3.8155 8.1175 118.8889 58.4580 28.4138 178.5772 110 W 3.9329 7.9634 128.9084 60.3743 30.7937 177.8241 111 F 3.0275 8.3588 121.0426 60.7856 38.7573 176.9542 112 K 3.3745 8.2294 119.5254 59.1535 31.8518 178.9632 113 K 3.7029 7.2994 118.7828 59.1261 31.6739 179.0576 114 F 3.5809 7.1048 120.1219 60.8634 39.4266 176.5526 115 F 3.5670 7.9519 120.3810 61.3839 38.9586 176.9324 116 D 4.3163 8.0688 116.9972 57.0495 40.6268 178.2404 117 A 3.9961 7.5133 119.9009 53.6959 18.4476 177.5528 118 N 4.5459 7.1450 112.3411 52.9203 40.9351 174.5041 119 Y 3.8460 7.2339 120.6275 57.3137 39.2043 175.1703 120 D 4.4040 8.0542 125.1631 52.6914 40.0665 177.1362 121 G 3.4076 5.3800 107.5365 44.9864 0.0000 174.0342 122 K 4.0733 7.5647 118.5258 56.3836 33.0235 176.7566 123 D 4.5973 8.4919 120.8461 55.1622 41.3590 175.7316 124 Y 4.5460 8.3753 122.8755 55.6456 41.7663 174.1419 125 D 4.5767 8.0034 127.1810 52.0389 41.7982 174.5944 126 P 4.0317 0.0000 0.0000 65.1198 31.6679 178.4081 127 V 3.4971 7.5816 117.7407 65.9120 31.3744 177.5353 128 A 3.8808 8.0934 120.2545 55.1202 17.8495 179.4670 129 A 3.9053 7.4994 118.4107 55.4015 18.5653 179.8571 130 R 3.7705 7.4668 117.1900 59.0489 30.0848 179.2869 *131 Q 4.1990 7.3791 119.0144 59.1258 28.4626 181.2643 *132 G 3.9282 7.9292 112.5442 45.7395 0.0000 172.3468 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 1 S 8.33 4.40 0.00 3.84 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 2 A 8.36 4.28 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 3 V 9.74 3.85 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 0.73 0.00 0.00 0.89 0.00 0.00 4 N 8.82 4.76 0.00 2.81 2.25 0.00 0.00 6.85 7.68 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 5 V 8.06 4.30 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 0.80 0.00 0.00 0.80 0.00 0.00 6 Y 8.68 4.93 0.00 3.08 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 7 S 8.86 4.27 0.00 4.02 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 8 T 7.88 4.33 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 1.22 0.00 0.00 9 S 7.89 4.30 0.00 4.06 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 10 V 8.21 3.91 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 0.80 0.00 0.00 0.93 0.00 0.00 11 T 8.01 4.66 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 1.20 0.00 0.00 12 S 8.24 4.28 0.00 3.76 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 13 D 8.24 4.50 0.00 2.64 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 14 N 8.44 4.53 0.00 2.68 2.68 0.00 0.00 6.88 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 15 L 8.22 4.70 0.00 1.67 1.64 0.83 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 16 S 8.40 4.67 0.00 4.18 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 0.00 17 R 8.52 4.05 0.00 1.96 1.87 0.00 2.75 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.28 0.00 18 H 7.87 4.25 0.00 3.32 3.45 0.00 5.81 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 D 8.29 4.49 0.00 2.85 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 20 M 8.57 4.26 0.00 2.50 2.32 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 2.90 2.90 0.00 21 L 8.40 4.08 0.00 1.80 1.76 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 22 A 8.18 4.07 1.50 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 23 W 8.26 4.21 0.00 3.41 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 24 I 7.79 3.22 1.96 0.00 0.00 1.00 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 0.80 0.74 0.00 0.00 25 N 8.48 4.25 0.00 2.77 2.89 0.00 0.00 7.10 7.47 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 26 E 8.37 3.94 0.00 2.10 2.00 0.00 0.00 0.00 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 2.39 0.00 27 S 7.78 3.96 0.00 3.48 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 28 L 7.45 4.29 0.00 1.36 1.37 -0.07 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 7.26 3.37 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.66 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 30 L 7.78 4.82 0.00 1.63 1.48 0.74 0.67 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 31 N 8.09 5.10 0.00 2.62 2.72 0.00 0.00 6.89 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 32 L 8.39 4.25 0.00 1.72 1.59 0.85 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 33 T 9.13 4.55 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 1.26 0.00 0.00 34 K 7.77 4.71 0.00 1.81 1.94 0.00 1.69 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.46 7.81 35 I 8.70 3.82 2.07 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.88 0.93 0.00 0.00 36 E 8.46 4.06 0.00 2.12 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 2.61 2.69 0.00 37 Q 8.04 4.17 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 38 L 8.16 4.19 0.00 1.88 1.70 1.11 0.40 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 C 8.01 4.36 0.00 3.19 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 40 S 7.39 3.46 0.00 3.89 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 41 G 7.88 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 0.00 0.00 0.00 42 A 7.37 3.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.55 3.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.24 4.17 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 45 C 8.02 4.21 0.00 3.02 2.96 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 46 Q 8.28 4.14 0.00 2.37 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 47 F 8.59 4.51 0.00 3.72 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 48 M 8.83 4.51 0.00 2.43 2.61 0.00 0.00 0.00 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.19 3.45 0.00 49 D 8.32 4.50 0.00 2.98 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 50 M 7.83 3.43 0.00 2.13 1.10 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.48 0.00 51 L 8.01 3.89 0.00 1.37 0.13 0.67 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.32 4.92 0.00 3.11 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 53 P 0.00 4.63 0.00 2.13 2.14 0.00 3.81 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.24 0.00 54 G 9.16 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 55 S 8.63 4.39 0.00 4.18 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 56 I 7.57 4.60 2.02 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 1.33 1.01 0.00 0.00 57 A 8.33 4.42 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 58 L 8.27 4.00 0.00 1.86 1.79 1.20 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 *59 K 8.14 4.11 0.00 1.81 1.72 0.00 1.84 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.36 1.04 7.81 60 K 7.81 4.43 0.00 2.14 1.87 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.40 1.22 7.81 61 V 7.44 3.56 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 -0.30 0.00 0.00 0.87 0.00 0.00 62 K 8.83 4.32 0.00 1.87 1.72 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.35 7.81 63 F 8.48 4.29 0.00 3.06 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 64 Q 7.91 4.63 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 65 A 7.54 4.28 1.40 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 0.00 0.00 66 K 9.03 4.72 0.00 1.96 1.82 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.35 1.23 7.81 67 L 7.37 4.49 0.00 1.27 1.29 0.90 0.78 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 68 E 8.54 3.42 0.00 1.91 1.88 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 2.39 2.47 0.00 69 H 7.92 4.22 0.00 3.42 3.51 0.00 5.70 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 E 7.59 4.33 0.00 2.03 1.99 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 2.22 1.81 0.00 71 Y 7.49 4.65 0.00 3.19 3.20 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 72 I 8.08 3.87 2.07 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 1.56 0.90 0.94 0.00 0.00 73 Q 8.18 4.02 0.00 2.31 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.65 0.00 74 N 8.27 4.24 0.00 2.86 2.56 0.00 0.00 7.08 7.48 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 75 F 8.46 4.05 0.00 3.14 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 76 K 8.56 4.24 0.00 1.95 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.69 7.81 77 I 7.80 3.71 2.02 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 1.41 0.81 0.91 0.00 0.00 78 L 7.87 3.95 0.00 1.63 1.74 1.09 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 8.48 3.87 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 80 A 8.28 4.14 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 81 G 8.21 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 0.00 0.00 0.00 82 F 8.79 4.39 0.00 3.19 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 83 K 8.53 3.95 0.00 1.88 2.01 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 84 R 8.05 3.94 0.00 1.95 2.17 0.00 3.36 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 85 M 8.20 4.25 0.00 1.48 1.87 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.79 0.00 86 G 7.75 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 0.00 0.00 0.00 87 V 7.85 3.88 1.57 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 -0.29 0.00 0.00 0.67 0.00 0.00 88 D 9.18 4.58 0.00 2.68 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 89 K 7.49 3.86 0.00 1.03 1.26 0.00 1.09 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.30 1.06 7.81 90 I 8.04 4.01 1.80 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 1.39 0.62 0.85 0.00 0.00 91 I 8.14 3.96 1.66 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.49 0.26 0.00 0.00 92 P 0.00 4.41 0.00 2.10 2.09 0.00 3.06 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 93 V 7.26 2.82 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 0.86 0.00 0.00 0.69 0.00 0.00 94 D 7.89 4.29 0.00 2.85 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 95 K 7.77 4.07 0.00 1.85 1.83 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.49 1.46 7.81 96 L 7.38 3.98 0.00 1.10 1.45 -0.13 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 97 V 7.41 4.14 2.33 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 0.93 0.00 0.00 0.99 0.00 0.00 98 K 7.45 4.20 0.00 2.06 1.88 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.46 1.25 7.81 99 G 8.37 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 0.00 100 K 7.38 4.23 0.00 1.83 1.71 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.31 7.81 101 F 8.89 4.29 0.00 3.32 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 0.00 102 Q 8.28 3.98 0.00 2.36 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.69 0.00 0.00 0.00 0.00 0.00 2.53 2.59 0.00 103 D 8.04 4.37 0.00 2.72 2.68 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 0.00 104 N 8.18 4.53 0.00 2.93 2.96 0.00 0.00 6.68 8.16 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 0.00 105 F 8.74 4.46 0.00 1.93 2.66 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 0.00 106 E 8.50 3.92 0.00 2.00 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 2.24 2.19 0.00 107 F 8.49 4.50 0.00 3.15 3.21 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 0.00 108 V 8.35 4.03 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.32 0.00 0.00 109 Q 8.12 3.82 0.00 2.13 2.04 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 1.97 2.00 0.00 110 W 7.96 3.93 0.00 3.37 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 0.00 111 F 8.36 3.03 0.00 2.87 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 0.00 112 K 8.23 3.37 0.00 1.32 1.43 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.77 0.95 7.81 113 K 7.30 3.70 0.00 1.59 1.61 0.00 1.68 0.00 0.00 1.49 0.00 0.00 2.80 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.34 7.81 114 F 7.10 3.58 0.00 1.51 1.85 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 0.00 115 F 7.95 3.57 0.00 2.87 2.83 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 0.00 116 D 8.07 4.32 0.00 2.44 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 0.00 117 A 7.51 4.00 1.10 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 0.00 118 N 7.15 4.55 0.00 1.98 2.26 0.00 0.00 6.92 6.79 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 0.00 119 Y 7.23 3.85 0.00 1.73 2.47 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 0.00 0.00 0.00 0.00 120 D 8.05 4.40 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 G 5.38 3.41 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 0.00 122 K 7.56 4.07 0.00 1.94 1.90 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.66 1.61 7.81 123 D 8.49 4.60 0.00 2.75 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 0.00 124 Y 8.38 4.55 0.00 2.94 2.90 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 0.00 125 D 8.00 4.58 0.00 2.64 2.33 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 0.00 126 P 0.00 4.03 0.00 2.32 2.23 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.16 0.00 127 V 7.58 3.50 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 0.93 0.00 0.00 0.82 0.00 0.00 128 A 8.09 3.88 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 0.00 129 A 7.50 3.91 1.16 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 0.00 0.00 130 R 7.47 3.77 0.00 1.54 1.52 0.00 2.21 0.00 0.00 2.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 *131 Q 7.38 4.20 0.00 2.20 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 *132 G 7.93 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.