NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4133 8.1633 120.3496 55.8617 33.9680 177.4637 2 N 4.5893 8.2160 110.4827 53.4207 37.9527 174.4296 3 R 4.5817 8.0190 114.2062 55.6670 34.1925 175.7573 4 G 3.8974 8.4969 105.9387 45.7821 0.0000 171.1966 5 A 4.5469 9.5596 122.7926 52.5559 22.7863 179.1174 6 L 3.9383 8.1694 116.7015 58.4649 41.6263 178.7761 7 I 3.6418 7.9006 119.2044 64.7713 36.8205 177.7484 8 K 4.6752 8.0787 119.3731 59.0700 32.0243 178.8426 9 L 4.1083 7.6479 119.1858 58.4635 42.0718 177.9845 10 V 3.5070 8.2353 118.7973 64.8898 31.0805 177.0014 11 E 4.0171 8.3874 119.3030 59.2885 30.5218 178.7895 12 S 4.3536 7.5021 116.5650 58.3342 61.1779 175.2096 13 R 4.1276 7.9294 119.5788 58.9709 31.0437 178.1465 14 Y 4.3849 8.5116 116.8736 57.9384 36.9547 175.8397 15 V 4.5719 7.3281 118.1358 60.0143 35.1384 174.9913 16 R 4.6983 8.7150 126.8002 55.9932 28.2915 177.1561 17 T 3.3938 8.5493 125.0230 62.8096 65.6812 171.4467 18 D 4.6429 7.8975 119.9488 54.0431 40.0923 175.7222 19 L 4.5675 7.5483 120.6781 52.4507 43.0088 174.4324 20 P 4.3124 0.0000 0.0000 62.5934 32.1362 174.6610 21 E 4.7465 8.5627 120.0473 54.5912 31.1081 174.8712 22 F 5.1692 8.0063 118.9407 55.4358 41.3173 173.7528 23 R 4.6070 8.4117 118.1914 54.9455 33.8551 175.5364 24 P 4.2625 0.0000 0.0000 64.4065 31.1933 176.4929 25 G 4.2200 11.3000 111.9178 45.7775 0.0000 176.5698 26 D 5.0427 8.5126 120.5326 52.0892 40.7998 177.6227 27 T 4.1459 7.5425 128.4578 61.7886 67.3719 173.1927 28 V 3.9882 8.6881 118.4550 61.4279 32.4167 169.4711 29 R 4.8172 8.7743 133.8038 56.7661 33.3933 172.6834 30 V 3.4457 7.0956 115.7591 56.9048 35.7363 175.5832 31 S 4.2327 8.1327 122.2633 59.8973 70.0559 175.6249 32 Y 4.7677 7.7092 117.4489 54.8733 41.3223 172.8191 33 K 4.4113 9.8920 116.9115 56.2417 32.5384 176.6094 34 V 4.5940 8.0999 122.5903 62.3884 33.0877 176.4289 35 K 4.5011 7.9196 128.0043 54.7349 31.3774 176.7707 36 E 3.5616 10.1449 115.2528 56.8697 28.8149 174.7075 37 G 4.0910 9.4380 107.0732 45.3625 0.0000 173.3351 38 N 4.9472 7.3847 116.0292 51.0194 39.5143 173.6336 39 R 3.0915 9.4067 116.9152 59.2030 30.1521 179.3871 40 T 3.6952 7.3715 114.0381 60.3803 67.2494 173.1158 41 R 4.5946 8.0274 128.4596 54.7322 30.1361 172.4051 42 I 3.5997 7.9600 119.4112 61.8900 38.3325 175.9993 43 Q 4.4527 8.0091 129.6714 53.9284 30.4283 174.7287 44 D 4.7909 8.6233 126.2470 54.6059 42.2176 176.0856 45 F 5.0393 8.6218 122.2645 57.0076 42.7016 172.4585 46 E 4.6902 8.7158 127.1853 53.7405 31.2442 175.1598 47 G 4.0028 7.7947 114.9515 46.1001 0.0000 171.9569 48 I 4.3839 7.3048 122.5783 60.4109 38.5164 176.0421 49 V 4.4750 7.9771 125.2315 61.8639 32.0613 176.0502 50 I 4.4722 8.6433 121.5539 60.8133 39.9765 175.1116 51 R 4.3446 7.6097 121.1314 55.6242 33.0794 173.1043 52 I 4.9745 8.5286 127.7409 59.5013 39.7581 174.9997 53 R 4.4405 8.5747 127.5853 54.1881 31.8432 175.1122 54 R 4.3862 8.3775 133.7495 57.4514 30.0156 177.1396 55 N 4.6136 9.7447 116.7577 55.7853 39.4114 177.6290 56 G 3.9821 8.7615 108.9425 46.6147 0.0000 176.5429 57 F 4.5021 9.7775 127.5365 60.4005 40.9891 175.9696 58 N 3.1400 4.0000 106.6948 52.3886 34.8916 172.4676 59 T 4.8674 7.1770 117.3510 61.2971 73.3346 173.5817 60 T 5.9047 8.6085 110.5295 60.9180 72.6540 172.2984 61 F 6.2058 8.4481 117.8419 57.1093 40.1303 172.8280 62 T 4.9459 7.9038 114.0882 60.0013 70.9640 173.4765 63 V 4.6792 7.9710 124.9813 61.0423 34.2719 173.7295 64 R 5.1924 8.9301 128.7637 54.7673 32.1916 174.6211 65 K 4.4514 9.1539 127.3746 54.5209 35.6946 175.1847 66 V 4.2664 8.5544 127.6734 62.5893 31.7021 175.6059 67 S 4.6715 9.6098 125.6682 57.2050 62.5958 175.7799 68 Y 3.5097 9.1914 128.8596 58.1793 34.7683 170.3559 69 G 4.1225 9.4551 111.2618 45.6431 0.0000 173.0361 70 V 4.5147 7.7293 119.7697 60.6939 35.3718 174.3322 71 G 4.3123 8.6088 111.9813 45.0040 0.0000 173.2173 72 V 4.7776 8.9708 124.8719 61.1289 35.0357 174.0870 73 E 5.2368 8.7105 123.9750 54.8613 33.4734 174.4761 74 R 4.5874 8.5549 121.3610 54.9997 34.7697 173.7910 75 I 4.6203 7.6171 121.2385 59.7502 40.5575 174.8512 76 F 5.4165 7.6054 125.5789 55.2295 41.9286 174.8703 77 P 5.3339 0.0000 0.0000 62.3217 31.9603 176.3918 78 L 4.1088 9.3891 119.5455 55.7393 40.1777 172.8293 79 H 4.9057 7.8623 111.3204 54.6658 32.9270 174.6762 80 S 3.3826 8.2860 115.1229 60.3132 62.0930 172.2298 81 P 3.9892 0.0000 0.0000 63.2087 26.4204 173.8561 82 L 4.7921 8.5772 121.6948 55.3975 45.5718 178.3519 83 I 2.4818 7.3467 107.7609 60.0553 40.6255 176.1237 84 Q 4.5109 8.5234 116.9853 54.7612 31.2378 176.9220 85 K 4.3776 8.2453 112.0685 56.5685 35.8466 175.7950 86 I 3.5492 7.4349 119.5476 61.3669 38.2131 176.2321 87 D 5.1779 8.3005 129.0710 51.7924 40.5367 175.4923 88 I 4.4232 7.6079 118.4501 62.2442 39.7635 179.5234 89 V 4.0094 8.5978 135.0000 62.3503 31.3090 174.3219 90 Q 4.1160 8.6173 127.7926 56.5659 29.4333 176.6592 91 R 4.4094 8.2689 120.5448 56.7328 33.5643 176.1331 92 G 3.9452 9.4045 106.8147 46.4115 0.0000 174.6525 93 R 4.0446 8.3933 122.9242 56.4353 30.1101 174.1149 94 A 3.6658 7.9613 126.0558 51.9188 16.1316 177.0152 95 R 4.0310 8.6922 121.1200 58.9016 30.4295 176.7327 96 R 4.6660 7.5801 112.1990 53.4806 32.3595 174.2226 97 A 3.8428 8.2130 122.5443 53.0874 17.9504 178.1230 98 K 4.2311 8.2974 127.7194 54.0576 32.4250 177.9303 99 L 4.9530 7.7073 130.6078 54.7499 40.1630 178.0671 100 Y 4.2419 8.0455 117.3910 61.1544 38.8592 179.2570 101 F 4.2226 8.6965 115.4538 60.1219 37.9396 177.9817 102 I 3.1098 6.1000 114.9533 62.9917 36.7831 176.8758 103 R 3.7295 7.6834 118.6180 59.9934 30.3212 177.2478 104 N 4.4631 8.1837 116.7794 56.1480 39.2090 175.9218 105 L 4.6522 7.9017 117.4389 52.6456 42.2121 174.9926 106 S 4.7667 7.5215 113.0024 56.8766 64.1154 174.8779 107 D 4.4739 7.7945 132.4027 52.5048 42.0981 179.2531 108 R 3.8709 9.0180 116.8022 58.8488 30.0995 177.9738 109 E 4.1498 8.6768 118.6566 59.5046 29.6873 178.4599 110 I 3.6027 6.9573 120.4029 64.8609 37.0703 178.5342 111 R 4.0374 7.9256 116.9450 59.6825 29.8925 178.1273 112 R 4.2074 8.2344 118.0647 57.7099 30.3171 178.0097 113 K 4.1214 7.9352 120.1398 58.6265 33.6173 177.9397 114 L 4.6557 7.8103 119.7392 51.6532 40.4150 178.7205 115 R 4.3731 8.3504 124.9063 55.0040 30.0878 179.3580 116 A 4.5226 8.3238 128.1345 51.3796 21.5560 177.0607 117 D 4.6295 8.4423 123.4857 53.3441 39.5904 176.7420 118 R 3.9906 8.2227 125.3244 58.2385 30.1447 177.7957 119 K 4.4632 8.1674 118.6878 59.7171 32.0562 178.4359 120 R 4.1004 7.7429 117.5281 59.3673 30.3651 178.1068 121 I 3.6671 8.1387 119.4789 65.1130 36.6981 178.1258 122 D 4.4535 9.6241 119.3660 57.3354 40.3424 178.8122 123 Q 4.1996 7.9235 115.8951 57.0833 29.0083 177.0192 124 D 4.5613 8.5939 121.8605 56.3204 41.0055 177.6970 125 R 4.3694 7.3170 115.6985 56.3938 30.1697 176.5917 126 A 4.5030 7.4494 120.8870 53.2620 20.4964 177.8344 127 A 4.3755 7.4535 118.8506 52.7320 18.2102 177.6801 128 E 4.3859 8.0294 116.3505 57.8325 30.5860 177.5303 129 R 4.1764 7.6778 120.6767 56.3467 27.7029 175.6212 130 A 4.3843 7.6835 119.2068 51.8832 20.3096 176.9698 131 A 3.8249 7.3568 118.4216 51.3378 17.8288 178.7698 132 K 4.3207 8.3079 124.4183 56.4606 30.4035 177.7428 133 E 4.2896 7.9990 129.2338 56.1440 29.3778 175.7987 134 E 4.5876 7.8663 117.3885 55.3926 32.9463 174.0585 135 A 4.2736 8.8766 130.8233 52.4011 17.3030 179.3882 136 Q 3.9069 7.8666 114.3842 57.0014 28.6215 176.4393 137 K 4.2238 5.6600 113.0277 54.7807 33.9945 176.7730 *138 A 4.1104 8.5222 125.9654 52.4213 18.7921 175.8971 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 M 8.16 4.41 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.63 0.00 2 N 8.22 4.59 0.00 2.84 2.84 0.00 0.00 6.76 6.78 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 3 R 8.02 4.58 0.00 1.77 1.80 0.00 3.30 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 4 G 8.50 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 5 A 9.56 4.55 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 6 L 8.17 3.94 0.00 1.73 1.72 0.93 1.01 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 7 I 7.90 3.64 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 1.88 0.73 0.92 0.00 0.00 8 K 8.08 4.68 0.00 1.84 1.93 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.34 7.81 9 L 7.65 4.11 0.00 1.83 1.72 0.94 1.04 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 10 V 8.24 3.51 2.24 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 0.99 0.00 0.00 1.04 0.00 0.00 11 E 8.39 4.02 0.00 2.10 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 0.00 2.43 2.53 0.00 12 S 7.50 4.35 0.00 3.92 3.49 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 13 R 7.93 4.13 0.00 1.97 1.81 0.00 3.23 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 14 Y 8.51 4.38 0.00 2.58 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 15 V 7.33 4.57 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 0.85 0.00 0.00 0.99 0.00 0.00 16 R 8.72 4.70 0.00 1.85 1.47 0.00 3.53 0.00 0.00 3.20 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.59 0.00 17 T 8.55 3.39 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 1.23 0.00 0.00 18 D 7.90 4.64 0.00 2.83 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 19 L 7.55 4.57 0.00 1.68 1.68 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.31 0.00 2.05 2.07 0.00 3.66 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 21 E 8.56 4.75 0.00 1.92 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 2.19 2.19 0.00 22 F 8.01 5.17 0.00 3.16 2.81 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 23 R 8.41 4.61 0.00 1.85 1.77 0.00 3.13 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 24 P 0.00 4.26 0.00 2.09 2.05 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 25 G 11.30 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 0.00 0.00 0.00 0.00 26 D 8.51 5.04 0.00 2.62 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 27 T 7.54 4.15 4.24 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 1.37 0.00 0.00 28 V 8.69 3.99 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 0.85 0.00 0.00 0.92 0.00 0.00 29 R 8.77 4.82 0.00 1.99 1.80 0.00 3.37 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.36 0.00 30 V 7.10 3.45 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 0.97 0.00 0.00 0.95 0.00 0.00 31 S 8.13 4.23 0.00 2.72 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 Y 7.71 4.77 0.00 3.09 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 33 K 9.89 4.41 0.00 2.04 1.96 0.00 1.61 0.00 0.00 1.24 0.00 0.00 2.54 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.02 1.20 7.81 34 V 8.10 4.59 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 0.88 0.00 0.00 1.00 0.00 0.00 35 K 7.92 4.50 0.00 1.97 1.57 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.42 7.81 36 E 10.14 3.56 0.00 2.02 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 0.00 2.45 2.29 0.00 37 G 9.44 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 0.00 0.00 0.00 38 N 7.38 4.95 0.00 2.80 2.80 0.00 0.00 6.03 7.66 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 39 R 9.41 3.09 0.00 1.85 1.84 0.00 3.24 0.00 0.00 3.29 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 40 T 7.37 3.70 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 41 R 8.03 4.59 0.00 2.10 1.94 0.00 3.41 0.00 0.00 3.21 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 42 I 7.96 3.60 1.86 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 1.23 0.52 0.89 0.00 0.00 43 Q 8.01 4.45 0.00 2.09 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.92 0.00 0.00 0.00 0.00 0.00 2.16 2.27 0.00 44 D 8.62 4.79 0.00 2.61 2.61 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 0.00 0.00 0.00 0.00 45 F 8.62 5.04 0.00 2.98 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 46 E 8.72 4.69 0.00 1.92 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 2.11 2.20 0.00 47 G 7.79 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 0.00 0.00 0.00 48 I 7.30 4.38 1.82 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 1.25 0.75 0.92 0.00 0.00 49 V 7.98 4.47 2.38 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 0.82 0.00 0.00 1.31 0.00 0.00 50 I 8.64 4.47 1.78 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 1.03 0.60 0.61 0.00 0.00 51 R 7.61 4.34 0.00 1.43 1.56 0.00 3.15 0.00 0.00 3.40 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 52 I 8.53 4.97 1.80 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 0.74 0.00 0.00 53 R 8.57 4.44 0.00 1.92 1.82 0.00 3.12 0.00 0.00 3.20 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.57 0.00 54 R 8.38 4.39 0.00 1.83 1.70 0.00 3.36 0.00 0.00 3.08 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 55 N 9.74 4.61 0.00 2.71 3.24 0.00 0.00 6.82 7.98 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 56 G 8.76 3.98 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 0.00 0.00 0.00 57 F 9.78 4.50 0.00 2.92 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 58 N 4.00 3.14 0.00 2.42 1.78 0.00 0.00 5.73 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 59 T 7.18 4.87 4.43 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 1.29 0.00 0.00 60 T 8.61 5.90 4.31 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 1.25 0.00 0.00 61 F 8.45 6.21 0.00 3.45 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 62 T 7.90 4.95 4.23 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 1.20 0.00 0.00 63 V 7.97 4.68 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 0.93 0.00 0.00 0.98 0.00 0.00 64 R 8.93 5.19 0.00 1.87 1.72 0.00 3.09 0.00 0.00 3.06 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.81 0.00 65 K 9.15 4.45 0.00 1.51 1.56 0.00 1.52 0.00 0.00 1.43 0.00 0.00 2.80 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 1.39 7.81 66 V 8.55 4.27 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 0.81 0.00 0.00 0.91 0.00 0.00 67 S 9.61 4.67 0.00 3.99 3.84 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 68 Y 9.19 3.51 0.00 3.09 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 69 G 9.46 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 70 V 7.73 4.51 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 0.96 0.00 0.00 0.94 0.00 0.00 71 G 8.61 4.31 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 0.00 72 V 8.97 4.78 2.37 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 0.97 0.00 0.00 1.03 0.00 0.00 73 E 8.71 5.24 0.00 1.84 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 2.22 2.30 0.00 74 R 8.55 4.59 0.00 1.87 1.04 0.00 2.21 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.33 0.00 75 I 7.62 4.62 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.55 0.85 0.00 0.00 76 F 7.61 5.42 0.00 3.01 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 77 P 0.00 5.33 0.00 2.31 2.26 0.00 3.72 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.01 0.00 78 L 9.39 4.11 0.00 1.97 2.00 0.73 0.86 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 79 H 7.86 4.91 0.00 3.32 3.31 0.00 6.10 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.29 3.38 0.00 4.05 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 81 P 0.00 3.99 0.00 1.65 1.66 0.00 3.76 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 2.02 0.00 82 L 8.58 4.79 0.00 1.79 1.65 1.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.35 2.48 1.88 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 1.48 0.47 0.93 0.00 0.00 84 Q 8.52 4.51 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.93 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 85 K 8.25 4.38 0.00 1.69 1.72 0.00 1.88 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.33 1.43 7.81 86 I 7.43 3.55 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.73 0.95 0.00 0.00 87 D 8.30 5.18 0.00 2.73 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 0.00 0.00 0.00 0.00 88 I 7.61 4.42 1.94 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 1.18 0.91 0.89 0.00 0.00 89 V 8.60 4.01 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 0.78 0.00 0.00 0.92 0.00 0.00 90 Q 8.62 4.12 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.44 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 91 R 8.27 4.41 0.00 1.82 2.04 0.00 3.49 0.00 0.00 3.34 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 92 G 9.40 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 0.00 0.00 0.00 93 R 8.39 4.04 0.00 2.00 2.13 0.00 3.43 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 94 A 7.96 3.67 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 95 R 8.69 4.03 0.00 1.80 1.99 0.00 3.31 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 96 R 7.58 4.67 0.00 1.86 1.87 0.00 2.76 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 97 A 8.21 3.84 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 98 K 8.30 4.23 0.00 1.84 1.51 0.00 1.61 0.00 0.00 1.80 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.37 7.81 99 L 7.71 4.95 0.00 2.66 2.10 0.90 0.90 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 0.00 100 Y 8.05 4.24 0.00 3.10 3.12 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 0.00 101 F 8.70 4.22 0.00 3.29 3.32 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 0.00 102 I 6.10 3.11 1.55 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 1.15 0.49 0.04 0.00 0.00 103 R 7.68 3.73 0.00 1.81 2.03 0.00 3.23 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.01 0.00 104 N 8.18 4.46 0.00 2.70 2.93 0.00 0.00 6.95 8.58 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 0.00 105 L 7.90 4.65 0.00 1.68 1.88 1.09 0.80 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 0.00 106 S 7.52 4.77 0.00 3.89 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 0.00 107 D 7.79 4.47 0.00 2.80 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 0.00 108 R 9.02 3.87 0.00 1.82 2.02 0.00 3.23 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 1.62 1.74 0.00 109 E 8.68 4.15 0.00 2.04 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 2.34 2.35 0.00 110 I 6.96 3.60 2.07 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.71 0.87 0.00 0.00 111 R 7.93 4.04 0.00 1.76 2.02 0.00 3.14 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 112 R 8.23 4.21 0.00 2.00 1.90 0.00 3.25 0.00 0.00 3.45 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 113 K 7.94 4.12 0.00 1.78 2.06 0.00 1.67 0.00 0.00 1.82 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.81 1.78 7.81 114 L 7.81 4.66 0.00 1.55 1.61 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 115 R 8.35 4.37 0.00 1.85 1.16 0.00 3.34 0.00 0.00 3.35 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.60 0.00 116 A 8.32 4.52 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 0.00 117 D 8.44 4.63 0.00 2.81 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 0.00 118 R 8.22 3.99 0.00 1.90 2.45 0.00 3.21 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 119 K 8.17 4.46 0.00 1.75 2.00 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.51 7.81 120 R 7.74 4.10 0.00 2.23 1.96 0.00 3.23 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.02 0.00 121 I 8.14 3.67 1.97 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 1.71 0.94 0.91 0.00 0.00 122 D 9.62 4.45 0.00 2.72 2.74 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.92 4.20 0.00 2.22 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.73 0.00 0.00 0.00 0.00 0.00 2.59 2.39 0.00 124 D 8.59 4.56 0.00 2.83 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 0.00 125 R 7.32 4.37 0.00 1.86 1.96 0.00 3.29 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 126 A 7.45 4.50 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 0.00 127 A 7.45 4.38 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 0.00 128 E 8.03 4.39 0.00 2.06 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 0.00 2.34 2.36 0.00 129 R 7.68 4.18 0.00 1.77 1.91 0.00 3.34 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 130 A 7.68 4.38 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 0.00 131 A 7.36 3.82 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 0.00 132 K 8.31 4.32 0.00 1.74 1.79 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.10 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.48 7.81 133 E 8.00 4.29 0.00 1.91 1.92 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 2.29 2.35 0.00 134 E 7.87 4.59 0.00 1.90 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 2.17 2.32 0.00 135 A 8.88 4.27 1.42 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 0.00 136 Q 7.87 3.91 0.00 2.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.45 0.00 137 K 5.66 4.22 0.00 1.92 1.73 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.51 7.81 *138 A 8.52 4.11 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 * Residues marked with a * may have inaccurate shift predictions.