NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4315 8.3349 116.7968 58.0068 63.2492 172.5085 3 N 4.8529 7.6673 118.1220 51.6290 42.5052 171.7243 4 T 4.6637 8.9520 117.3764 63.4534 71.1194 175.1768 5 L 4.6943 7.8955 117.4397 55.1586 45.1085 175.5442 6 F 4.6412 7.8950 118.4333 57.9551 41.8869 171.9977 7 D 4.7628 6.7369 124.5944 52.8051 44.1808 174.1751 8 D 4.2864 7.7276 122.8517 54.7399 46.4660 174.3456 9 I 5.2578 7.0497 117.4215 60.2057 41.7546 174.3894 10 F 5.7707 9.7186 123.3670 54.8538 43.9163 173.5061 11 Q 5.6649 8.5343 122.0262 53.3286 31.4046 174.7796 12 V 3.9893 8.6269 127.0352 64.0127 31.8497 176.4082 13 S 4.4567 8.8414 122.8933 60.5227 64.2051 174.0406 14 E 4.7888 7.5968 117.4237 55.3143 32.5920 174.6326 15 V 4.6095 8.5068 124.0578 61.2384 34.7818 174.4111 16 D 4.6876 8.6883 125.8268 52.3529 44.5702 172.1635 17 P 4.5320 0.0000 0.0000 61.4035 31.9253 175.1871 18 G 3.6730 8.4398 116.1079 45.0984 0.0000 171.5805 19 R 3.8460 8.1511 126.0928 57.9004 28.1886 176.8466 20 Y 4.9973 7.6317 116.0726 55.7061 38.5096 175.8987 21 N 4.4548 8.8453 122.3441 55.4432 38.8920 176.2505 22 K 4.5390 7.8635 113.4878 55.8983 33.4852 175.7923 23 V 4.6779 7.4605 117.2815 61.8614 34.7375 173.1153 24 C 5.2592 8.8776 124.1605 58.0132 32.2043 172.5400 25 R 4.9786 8.5314 121.3205 54.8681 31.8774 174.7710 26 I 4.8103 9.0193 127.3028 59.5352 40.3939 174.2606 27 E 5.1982 8.9689 125.8527 53.8092 31.7033 175.0130 28 A 5.1857 8.5130 124.9641 50.2280 23.6124 174.6951 29 A 4.7140 8.5053 121.0927 50.8385 22.0966 175.6548 30 S 4.7355 8.4551 112.5653 56.3937 64.2940 174.8304 31 T 4.5649 7.2813 123.1836 62.0435 69.1344 173.8926 32 T 4.4104 7.6627 123.1597 64.0230 76.4400 176.4568 33 Q 4.3055 9.1414 126.9489 56.1794 30.2078 176.7454 34 D 4.8821 8.6566 123.0811 55.0823 40.3321 176.5641 35 Q 4.4144 7.9458 115.8635 57.3608 31.2657 174.8036 36 C 4.8847 7.8103 125.7012 59.2314 31.3237 172.8245 37 K 4.6725 8.2096 123.9068 55.0431 34.2360 174.7907 38 L 4.7534 8.2785 121.1969 54.7248 46.1222 174.4421 39 T 4.8030 8.2704 120.0986 62.2424 73.3075 172.6982 40 L 4.9290 8.8531 127.3891 53.9312 46.0853 173.9576 41 D 5.0281 8.5432 125.9324 54.3055 41.8144 175.8365 42 I 4.6828 8.8566 122.1160 60.1061 42.6197 174.0112 43 N 4.8342 9.3725 124.3326 52.0786 37.5459 175.7589 44 V 3.9441 8.1656 117.1020 63.3533 31.6861 175.7756 45 E 4.4180 8.4509 120.0215 56.8073 30.6443 176.4372 46 L 4.5268 8.2930 116.4141 54.8015 43.1247 176.9088 47 F 4.8339 7.6698 119.1428 55.9003 40.1475 171.2673 48 P 4.2484 0.0000 0.0000 62.9534 32.4652 176.3657 49 V 4.1823 7.7560 117.4887 61.9440 34.2883 172.5892 50 A 4.7529 8.1322 127.9569 49.3749 22.1117 175.2299 51 A 3.9367 8.6934 121.6944 53.7832 18.8053 178.1447 52 Q 3.3209 8.1843 113.4254 56.9933 26.2799 173.1205 53 D 5.0701 7.8025 119.8227 52.2141 46.3034 174.6714 54 S 5.1005 8.7310 115.3699 57.4125 63.6124 173.0903 55 L 4.9032 8.9696 125.9902 53.4276 44.3797 175.7791 56 T 5.0591 8.1674 120.0157 62.1862 70.1937 173.7255 57 V 5.0023 8.5777 126.4598 60.7476 34.2120 174.5304 58 T 5.5662 8.3288 121.9670 60.2060 73.3022 174.5012 59 I 4.6110 9.0505 122.5772 60.9441 37.8946 178.4708 60 A 4.1274 9.6474 130.3906 53.1657 17.0582 177.5444 61 S 4.6275 8.5555 112.6819 53.8832 62.6303 173.8826 62 S 4.7004 8.6056 120.8057 59.3328 64.5045 177.6937 63 L 3.3153 6.8084 118.9980 56.7785 38.1298 176.1990 *76 T 4.1510 7.5721 112.3966 63.4408 70.1634 174.8623 77 R 4.2354 8.3104 118.4160 55.4683 29.3750 176.3837 78 S 4.3223 8.4673 114.5661 57.6324 63.4496 174.0029 79 W 4.2569 9.0190 135.0000 57.5088 30.9021 175.4556 80 R 3.9781 7.9529 124.7595 54.4988 30.9836 176.9445 81 P 3.9762 0.0000 0.0000 61.2698 32.8343 173.9731 82 P 4.2964 0.0000 0.0000 64.0277 30.2942 177.5458 83 Q 3.8163 9.7430 121.1794 57.0970 27.8859 176.3296 84 A 4.3870 7.5504 118.2930 52.0573 17.6550 179.5425 85 G 3.4193 8.5172 111.9676 49.4829 0.0000 174.3167 86 D 4.9704 7.4494 118.7922 54.0233 41.6612 174.2078 87 R 4.7494 7.5318 117.6278 54.1803 34.0265 175.1054 88 S 4.2247 8.6627 112.8584 59.7245 63.5744 174.7562 89 L 4.7491 8.1207 122.2218 53.1745 41.8811 177.5536 90 A 4.5166 7.9707 120.3659 52.3761 18.5415 177.9477 91 D 5.1194 8.7334 118.8596 54.9316 39.8318 177.5473 92 D 4.4738 8.5642 115.0598 56.4662 40.6257 175.6382 93 Y 4.8006 8.0626 118.0484 56.6138 40.6265 174.4814 94 D 4.9481 9.1182 119.1489 55.1873 43.4166 176.7685 95 Y 4.5473 7.7575 119.4709 55.5911 41.5932 174.7611 96 V 4.8788 8.5410 125.8676 60.9191 34.1144 174.1800 97 M 4.5754 7.9952 128.7602 54.7832 35.0799 174.1775 98 Y 5.4053 8.5417 118.2354 56.9910 41.3619 173.6024 99 G 3.3661 8.3153 116.6925 45.7455 0.0000 173.0396 100 T 4.9498 9.9168 120.3052 61.3299 73.5257 172.5055 101 A 4.2989 7.6066 124.3355 50.2062 19.3352 176.3752 102 Y 4.4548 8.3285 121.2100 58.6296 39.4901 175.7403 103 K 4.7298 7.2454 119.8823 54.0001 36.4056 174.4992 104 F 5.3032 8.6695 121.9891 55.4494 38.8682 174.6116 105 E 4.2647 8.8491 123.6349 56.0350 31.6161 175.1976 106 E 4.6375 8.5191 122.1313 53.7248 30.8951 176.4052 107 V 4.0055 7.9835 126.7049 64.3976 28.6480 175.1919 108 S 3.3061 8.8776 118.1157 59.0277 64.7524 172.8595 109 K 3.6983 8.1910 117.1628 58.1194 30.4686 175.5833 110 D 4.9177 8.5647 121.4427 54.2903 40.1770 175.9353 111 L 4.7261 7.7798 120.2190 54.8112 43.4105 176.0156 112 I 4.9465 8.4583 123.0558 59.5371 40.9172 174.4148 113 A 5.5855 8.5962 125.0485 49.7760 22.8843 175.4148 114 V 4.3063 7.9962 114.2766 59.5878 34.8865 174.7552 115 Y 4.5706 8.4558 122.8877 57.4804 39.8000 174.2367 116 Y 4.9135 8.9829 118.7293 56.6333 42.6628 174.2454 117 S 5.1126 9.5261 117.2180 56.5572 65.9699 174.1893 118 F 4.6055 9.7706 128.3869 56.7962 38.4027 176.1219 119 G 3.8105 8.8350 110.6837 46.4036 0.0000 171.8752 120 G 4.0349 7.6906 103.7018 44.8782 0.0000 173.0281 121 L 4.7484 8.0574 120.0924 53.1338 44.0537 176.4983 122 L 5.4392 9.4692 124.7342 54.5256 44.4457 175.1991 123 M 5.0535 9.0928 118.0458 54.7832 36.2346 173.1552 124 R 4.3819 9.0331 126.0376 54.1990 33.3141 173.6244 125 L 4.7049 7.9675 127.4828 53.2105 45.3973 174.5877 126 E 5.0156 8.4970 124.5262 52.8061 33.6692 173.9518 127 G 4.2964 8.3422 117.1936 45.8165 0.0000 174.7394 128 N 4.6931 8.0947 132.5885 53.6919 40.1789 173.6596 129 Y 4.6210 7.4749 114.4992 57.9698 38.7305 175.7345 130 R 4.8055 7.3834 120.3537 56.2656 30.6253 178.0400 131 N 4.4690 8.3461 116.5202 55.6070 38.9395 176.2263 132 L 4.8008 7.8282 114.0970 54.2965 43.7705 177.0686 133 N 4.5378 8.2529 116.0988 55.7827 39.0502 175.3842 134 N 4.6995 7.7507 117.7549 52.9657 38.9919 175.8250 135 L 4.6423 8.3622 131.3490 54.7529 41.6657 178.9129 136 K 4.8073 8.4744 121.1065 57.1606 32.2352 175.4837 137 Q 4.6500 8.0116 117.0470 53.7434 31.7091 176.6588 138 E 3.6623 8.6840 118.9358 59.3977 29.8401 176.1852 139 N 4.3857 7.8806 113.2188 53.1259 38.6083 174.3596 140 A 5.5366 8.4818 129.0961 52.4397 21.4275 174.1387 141 Y 4.8546 8.5392 119.3898 58.1418 39.7596 174.9188 142 L 4.7987 8.6324 125.4391 53.7660 44.3652 175.0245 143 L 5.4119 7.9476 122.2891 52.6986 46.5321 175.2770 144 I 5.5383 8.3597 119.3224 61.4161 41.2737 173.7875 145 R 5.1692 8.6574 119.7225 56.2535 32.9069 175.3069 146 R 4.2925 8.8591 119.6465 56.8218 30.4960 176.1161 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 8.33 4.43 0.00 3.88 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 3 N 7.67 4.85 0.00 2.79 2.71 0.00 0.00 7.00 6.17 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 4 T 8.95 4.66 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 5 L 7.90 4.69 0.00 1.77 1.74 1.02 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.90 4.64 0.00 3.10 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 7 D 6.74 4.76 0.00 2.54 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 0.00 0.00 0.00 0.00 8 D 7.73 4.29 0.00 2.44 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 0.00 0.00 0.00 0.00 9 I 7.05 5.26 1.84 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 1.41 1.28 1.04 0.00 0.00 10 F 9.72 5.77 0.00 2.91 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 11 Q 8.53 5.66 0.00 2.15 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.20 0.00 12 V 8.63 3.99 2.28 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 0.99 0.00 0.00 1.03 0.00 0.00 13 S 8.84 4.46 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.60 4.79 0.00 2.02 1.77 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 2.20 2.22 0.00 15 V 8.51 4.61 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 0.87 0.00 0.00 1.00 0.00 0.00 16 D 8.69 4.69 0.00 2.73 2.45 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 17 P 0.00 4.53 0.00 2.14 2.11 0.00 3.82 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 1.91 1.96 0.00 18 G 8.44 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 19 R 8.15 3.85 0.00 1.87 2.03 0.00 3.32 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.54 0.00 20 Y 7.63 5.00 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 21 N 8.85 4.45 0.00 2.73 2.92 0.00 0.00 7.01 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 7.86 4.54 0.00 1.64 1.76 0.00 1.72 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.36 7.81 23 V 7.46 4.68 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 0.80 0.00 0.00 0.98 0.00 0.00 24 C 8.88 5.26 0.00 2.92 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 25 R 8.53 4.98 0.00 2.15 1.81 0.00 3.07 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.73 0.00 26 I 9.02 4.81 1.89 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 1.42 0.59 0.91 0.00 0.00 27 E 8.97 5.20 0.00 1.84 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 2.21 2.06 0.00 28 A 8.51 5.19 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 29 A 8.51 4.71 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 30 S 8.46 4.74 0.00 3.61 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 31 T 7.28 4.56 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 1.18 0.00 0.00 32 T 7.66 4.41 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 1.14 0.00 0.00 33 Q 9.14 4.31 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.24 0.00 0.00 0.00 0.00 0.00 2.52 2.46 0.00 34 D 8.66 4.88 0.00 2.67 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 35 Q 7.95 4.41 0.00 2.01 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.11 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 36 C 7.81 4.88 0.00 3.05 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 37 K 8.21 4.67 0.00 1.68 1.77 0.00 1.98 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.82 7.81 38 L 8.28 4.75 0.00 1.60 1.45 0.68 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.27 4.80 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 1.20 0.00 0.00 40 L 8.85 4.93 0.00 1.56 1.30 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.54 5.03 0.00 2.70 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 42 I 8.86 4.68 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.16 1.35 0.00 0.00 43 N 9.37 4.83 0.00 2.79 2.55 0.00 0.00 7.15 7.22 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 44 V 8.17 3.94 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 0.83 0.00 0.00 1.02 0.00 0.00 45 E 8.45 4.42 0.00 1.94 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 2.21 2.23 0.00 46 L 8.29 4.53 0.00 1.44 1.59 0.83 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 47 F 7.67 4.83 0.00 2.61 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 48 P 0.00 4.25 0.00 1.92 1.93 0.00 3.61 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.20 0.00 49 V 7.76 4.18 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 0.73 0.00 0.00 1.01 0.00 0.00 50 A 8.13 4.75 1.20 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 0.00 0.00 51 A 8.69 3.94 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 52 Q 8.18 3.32 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.33 0.00 53 D 7.80 5.07 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 8.73 5.10 0.00 3.91 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 55 L 8.97 4.90 0.00 1.75 1.72 1.01 0.98 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 56 T 8.17 5.06 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 1.37 0.00 0.00 57 V 8.58 5.00 2.54 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 1.10 0.00 0.00 0.72 0.00 0.00 58 T 8.33 5.57 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 1.36 0.00 0.00 59 I 9.05 4.61 1.97 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 1.09 0.89 0.98 0.00 0.00 60 A 9.65 4.13 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 61 S 8.56 4.63 0.00 4.12 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 62 S 8.61 4.70 0.00 4.03 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 63 L 6.81 3.32 0.00 1.48 2.00 0.90 0.80 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 *76 T 7.57 4.15 4.37 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 1.30 0.00 0.00 77 R 8.31 4.24 0.00 2.05 2.05 0.00 3.25 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 78 S 8.47 4.32 0.00 4.07 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 79 W 9.02 4.26 0.00 3.32 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 80 R 7.95 3.98 0.00 1.59 1.57 0.00 3.19 0.00 0.00 3.13 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 81 P 0.00 3.98 0.00 1.85 1.83 0.00 3.42 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.79 0.00 82 P 0.00 4.30 0.00 2.15 1.76 0.00 3.79 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.97 0.00 83 Q 9.74 3.82 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.25 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 84 A 7.55 4.39 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 85 G 8.52 3.42 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 0.00 0.00 0.00 86 D 7.45 4.97 0.00 2.50 2.58 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 0.00 0.00 0.00 0.00 87 R 7.53 4.75 0.00 1.77 1.80 0.00 3.25 0.00 0.00 3.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 88 S 8.66 4.22 0.00 3.96 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 89 L 8.12 4.75 0.00 1.69 1.97 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.97 4.52 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 91 D 8.73 5.12 0.00 2.86 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 92 D 8.56 4.47 0.00 2.55 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 93 Y 8.06 4.80 0.00 2.87 3.22 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 0.00 94 D 9.12 4.95 0.00 2.84 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.76 4.55 0.00 1.54 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 0.00 0.00 0.00 96 V 8.54 4.88 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 1.12 0.00 0.00 0.92 0.00 0.00 97 M 8.00 4.58 0.00 1.49 1.10 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.59 0.00 98 Y 8.54 5.41 0.00 2.40 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 99 G 8.32 3.37 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 0.00 100 T 9.92 4.95 4.05 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 1.07 0.00 0.00 101 A 7.61 4.30 0.27 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 0.00 102 Y 8.33 4.45 0.00 2.91 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 0.00 103 K 7.25 4.73 0.00 1.76 1.32 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.80 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.45 7.81 104 F 8.67 5.30 0.00 2.87 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 0.00 105 E 8.85 4.26 0.00 2.21 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 2.38 2.34 0.00 106 E 8.52 4.64 0.00 1.87 1.87 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 2.25 2.33 0.00 107 V 7.98 4.01 2.09 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 0.80 0.00 0.00 0.98 0.00 0.00 108 S 8.88 3.31 0.00 4.13 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 0.00 109 K 8.19 3.70 0.00 1.88 1.76 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.41 7.81 110 D 8.56 4.92 0.00 2.79 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 0.00 111 L 7.78 4.73 0.00 2.05 1.62 0.97 0.87 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 0.00 112 I 8.46 4.95 1.88 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.92 0.96 0.00 0.00 113 A 8.60 5.59 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 0.00 114 V 8.00 4.31 1.53 0.00 0.00 0.00 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 0.78 0.00 0.00 115 Y 8.46 4.57 0.00 1.94 1.76 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 0.00 116 Y 8.98 4.91 0.00 2.71 2.57 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 0.00 0.00 0.00 0.00 117 S 9.53 5.11 0.00 3.86 3.57 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 0.00 0.00 0.00 0.00 118 F 9.77 4.61 0.00 2.83 3.09 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 0.00 119 G 8.84 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.69 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 0.00 0.00 0.00 121 L 8.06 4.75 0.00 1.75 1.65 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 122 L 9.47 5.44 0.00 1.77 1.81 1.03 0.68 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 0.00 123 M 9.09 5.05 0.00 2.17 1.94 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 124 R 9.03 4.38 0.00 1.46 1.47 0.00 2.88 0.00 0.00 2.92 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.50 0.00 125 L 7.97 4.70 0.00 1.38 1.16 0.62 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.50 5.02 0.00 1.93 1.66 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 2.23 2.25 0.00 127 G 8.34 4.30 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 0.00 128 N 8.09 4.69 0.00 2.69 2.83 0.00 0.00 6.83 7.54 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 0.00 129 Y 7.47 4.62 0.00 3.07 3.09 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 0.00 130 R 7.38 4.81 0.00 2.01 2.11 0.00 3.04 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 131 N 8.35 4.47 0.00 2.78 2.94 0.00 0.00 6.96 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 0.00 132 L 7.83 4.80 0.00 1.64 1.69 0.95 1.04 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 0.00 133 N 8.25 4.54 0.00 2.86 3.17 0.00 0.00 7.02 8.00 0.00 0.00 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 N 7.75 4.70 0.00 2.98 3.00 0.00 0.00 7.18 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 8.36 4.64 0.00 1.74 1.57 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.47 4.81 0.00 1.59 1.58 0.00 1.45 0.00 0.00 1.18 0.00 0.00 2.16 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.48 1.27 7.81 137 Q 8.01 4.65 0.00 2.15 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 138 E 8.68 3.66 0.00 1.94 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 0.00 2.26 2.20 0.00 139 N 7.88 4.39 0.00 2.89 3.00 0.00 0.00 6.73 7.35 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 0.00 140 A 8.48 5.54 1.66 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 0.00 141 Y 8.54 4.85 0.00 2.87 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 0.00 142 L 8.63 4.80 0.00 1.77 1.12 0.80 -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 0.00 0.00 0.00 0.00 143 L 7.95 5.41 0.00 0.91 0.16 0.83 -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 0.00 0.00 0.00 0.00 144 I 8.36 5.54 1.57 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.58 1.04 0.00 0.00 145 R 8.66 5.17 0.00 1.84 1.97 0.00 2.75 0.00 0.00 2.52 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 146 R 8.86 4.29 0.00 2.13 2.10 0.00 3.22 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 * Residues marked with a * may have inaccurate shift predictions.