NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.7325 8.2649 122.4701 52.2279 20.2537 175.8346 2 T 4.6055 8.8811 115.7422 61.2950 72.7200 171.6854 3 K 5.3272 9.0560 125.0692 54.8566 37.0299 174.5489 4 A 5.4342 9.0939 123.8203 50.9671 23.4548 175.0213 5 V 4.9883 8.7785 117.1512 61.1704 35.3332 173.0065 6 C 4.9345 9.1572 121.7763 58.0776 35.5589 172.5955 7 V 4.5896 8.4792 125.8230 61.4569 33.1530 174.0333 8 L 4.9632 8.8614 129.1181 53.6156 43.3160 176.0996 9 K 4.9908 8.9202 122.0103 55.6587 37.1342 175.9927 10 G 4.2796 8.0003 108.0614 46.3415 0.0000 172.3626 11 D 4.6040 8.8115 118.2901 55.1132 42.1324 176.9180 12 G 4.1587 7.6694 109.2405 44.2542 0.0000 171.9598 13 P 4.5406 0.0000 0.0000 62.8558 31.9284 175.8246 14 V 4.2360 7.5316 120.4954 63.0110 32.0377 175.0446 15 Q 4.8513 8.7472 124.9520 55.3854 32.3827 173.5275 16 G 4.3150 8.5072 106.6568 46.0244 0.0000 171.9849 17 I 5.1082 8.2371 120.3015 59.3272 40.6755 174.9838 18 I 4.6868 8.7413 127.5352 59.4711 40.2878 174.3932 19 N 4.9341 8.3372 124.1533 51.4129 41.1055 173.9666 20 F 5.4273 8.9263 119.9106 55.8733 43.2768 173.7197 21 E 5.2981 9.6427 122.5349 54.8557 33.6807 173.7120 22 Q 4.8394 9.3032 127.0953 54.4369 31.7126 175.7764 23 K 4.0317 9.0824 128.3694 58.9088 32.9403 176.0836 24 E 4.7164 7.7396 114.4163 54.2549 32.3670 173.9967 25 S 4.1956 8.5510 114.2159 60.1024 62.5871 173.7766 26 N 4.1484 8.9409 123.3662 54.0144 37.5381 173.8943 27 G 3.9984 7.8741 105.7897 44.2071 0.0000 171.8655 28 P 4.6122 0.0000 0.0000 62.1696 32.1731 176.3156 29 V 4.5762 8.9320 123.7607 61.4345 33.5277 174.7430 30 K 4.9431 9.1848 128.1163 55.6505 34.0298 175.9615 31 V 4.9201 9.0481 124.3360 60.9489 34.5388 174.2024 32 W 5.9742 7.5700 123.5342 55.8583 31.8135 175.2514 33 G 3.6663 7.6737 106.6363 45.9681 0.0000 170.8495 34 S 5.1153 7.8297 114.4425 56.8541 66.6606 174.3714 35 I 5.0694 8.7913 126.5808 59.3612 40.6388 174.8256 36 K 4.7537 9.2893 125.9890 55.5485 35.9861 176.9962 37 G 3.7393 8.8924 106.5484 45.5798 0.0000 173.2353 38 L 4.5559 7.6652 119.6774 52.6234 43.3633 176.4171 39 T 4.3039 8.1691 111.6339 61.1438 69.4358 173.9570 40 E 4.0187 8.6215 125.0151 57.4941 30.4713 175.0751 41 G 3.8137 8.5850 111.1639 43.9725 0.0000 172.1428 42 L 4.9093 8.2234 119.0076 54.6018 43.0784 176.4053 43 H 5.0168 9.2385 119.6361 53.5867 32.7135 173.4585 44 G 4.1192 9.1151 110.9328 46.8693 0.0000 172.6708 45 F 5.4676 8.4641 124.4589 57.3793 42.1891 172.6278 46 H 5.3705 9.0662 122.9984 53.9933 33.6185 172.8963 47 V 4.4266 8.4605 121.5968 62.4748 32.4519 175.0032 48 H 5.0342 9.2447 125.9194 54.6583 30.3430 176.0975 49 E 3.6747 8.8920 122.8069 58.8679 29.5193 177.1095 50 F 4.9601 8.1618 118.1555 54.9388 41.5555 176.8645 51 G 4.0613 8.3563 111.6032 44.5409 0.0000 174.3401 52 D 4.7940 7.9854 118.4204 52.7434 42.1832 174.7291 53 N 5.6823 8.6817 124.7710 52.2842 39.3715 176.5483 54 T 3.9368 8.5019 111.7862 63.9115 68.9821 174.4201 55 A 4.6759 7.6592 125.0032 51.3610 20.2378 177.5009 56 G 3.8437 7.9626 111.0413 47.3521 0.0000 175.9525 57 C 4.4526 8.5907 115.3365 59.7049 40.0458 175.6894 58 T 3.8165 7.8651 116.8987 65.9683 68.1040 175.4825 59 S 4.5307 7.8864 113.8716 58.7430 63.4538 175.1326 60 A 4.3915 7.4903 126.0780 53.8152 18.3595 178.8542 61 G 4.1051 7.8488 106.3327 43.9185 0.0000 170.7511 62 P 4.7249 0.0000 0.0000 61.9029 33.9185 175.0824 63 H 4.4842 8.4025 116.3307 55.7677 29.5626 175.6294 64 F 4.2791 9.0577 125.3305 58.1942 40.1857 175.3387 65 N 5.1275 7.9721 125.1251 52.0772 39.4972 172.9920 66 P 4.2772 0.0000 0.0000 64.8099 32.1084 177.9651 67 L 4.4577 7.6862 116.9285 53.6385 42.1351 176.1749 68 S 3.6198 7.6434 113.4201 59.6223 60.6615 172.2925 69 R 4.4558 8.0146 117.9451 54.8750 31.3040 176.9362 70 K 4.3149 8.9652 118.8052 56.3095 33.3793 176.5755 71 H 4.0275 8.7754 123.5354 56.5905 30.4312 174.6930 72 G 4.2156 7.5716 110.7463 44.5359 0.0000 171.8646 73 G 4.1122 9.1794 109.5279 43.4408 0.0000 173.3552 74 P 4.3504 0.0000 0.0000 65.3075 31.2809 177.5241 75 K 4.2957 7.8701 115.4840 56.5972 32.5320 176.4330 76 D 4.6422 7.7554 119.9241 53.5607 41.5319 176.5718 77 E 3.9306 8.8002 122.6249 58.9420 29.3477 176.7500 78 E 4.3287 7.9383 120.9214 54.7463 28.6770 174.5249 79 R 4.7356 7.6085 119.8532 54.4029 32.9208 174.8839 80 H 4.4540 8.9365 116.3559 55.4055 29.4453 176.7567 81 V 3.3644 8.2442 122.4362 66.1287 31.7479 177.0837 82 G 3.8887 8.3526 105.2828 46.9763 0.0000 173.6095 83 D 5.4093 7.8564 122.3243 53.0920 39.2212 176.3385 84 L 4.5165 8.1542 121.6940 53.1720 43.3897 176.6069 85 R 3.9988 8.6856 120.6654 56.6779 30.4931 175.9836 86 N 4.6307 8.7495 121.3658 54.3601 39.2789 174.8214 87 V 4.1087 8.4132 114.9626 60.6414 34.3913 175.2809 88 T 4.9723 8.2094 118.6093 61.8753 71.3669 172.8848 89 A 4.8309 9.0034 129.8166 50.8525 20.9072 177.1969 90 D 4.8903 8.6692 122.1522 51.9010 41.5542 177.1709 91 K 3.9443 8.5175 117.1537 59.7718 32.5392 177.1750 92 D 4.5659 8.3327 118.0934 54.0133 41.0723 177.0376 93 G 4.3339 8.5843 108.3133 44.6542 0.0000 172.6764 94 V 4.8104 7.8689 119.3613 60.7176 34.0693 174.1016 95 A 5.2208 9.0353 130.3734 49.8054 20.6416 175.6291 96 D 4.9226 8.6253 123.4277 53.9430 41.6370 176.4307 97 V 4.0248 8.7804 125.5199 61.9891 33.1990 175.3393 98 S 4.7254 8.5717 123.3714 57.3779 65.6256 173.1080 99 I 4.7893 9.1121 125.4398 59.2337 41.5074 174.1467 100 E 5.1617 8.9021 125.9342 54.4799 32.1745 174.4265 101 D 4.8120 9.2968 125.9524 52.6735 44.5108 175.6250 102 S 4.7065 8.8378 120.1831 58.5172 63.5224 175.4404 103 V 4.0364 8.2673 121.7376 64.4556 32.1567 176.6832 104 I 4.0169 7.8080 110.8834 61.2381 37.9546 174.3432 105 S 4.6632 8.1978 114.2134 57.5526 65.2548 173.3669 106 L 4.6317 8.9394 122.1922 54.1110 41.6246 176.2328 107 S 4.4721 7.9680 112.6160 58.1762 65.4472 175.3211 108 G 3.8901 8.5161 108.0087 45.2858 0.0000 173.8834 109 D 4.5268 8.7986 117.5926 57.0002 41.1232 176.2544 110 H 4.8659 7.4935 113.9515 54.4291 29.7274 175.3001 *112 I 3.7596 8.1742 116.9777 59.8282 39.2156 175.4498 113 I 3.7196 7.3349 122.7822 62.8792 37.4154 176.3390 114 G 3.8138 9.4097 113.4541 45.2807 0.0000 172.8754 115 R 4.8497 7.4536 118.7945 54.8423 33.7734 174.6687 116 T 4.9447 7.9910 116.1870 62.0169 70.9018 173.9725 117 L 4.7776 8.5823 128.7936 54.1599 43.9331 175.4017 118 V 4.9825 8.8623 125.9581 61.0037 35.1049 174.1799 119 V 5.1234 8.6905 126.9371 60.5028 33.7334 174.7646 120 H 5.2770 8.9593 121.2988 54.0332 30.7803 174.6238 121 E 4.1952 9.1524 121.5851 58.9683 30.0140 176.5022 122 K 4.7863 8.3635 116.9206 53.6860 36.6057 175.4754 123 A 4.4764 8.3160 122.3104 52.2100 19.5933 176.3042 124 D 4.7213 9.2668 122.4422 53.8290 41.7088 175.9810 125 D 4.5692 9.2887 125.0950 53.3676 39.6278 177.2793 126 L 3.6289 9.6016 119.3995 55.6397 39.5688 175.8902 127 G 4.0449 8.5616 105.4158 45.8833 0.0000 174.5376 128 K 4.5473 7.9770 117.5151 56.0695 32.4537 177.1398 129 G 3.8397 7.9031 106.7113 44.5794 0.0000 175.3744 130 G 3.9093 8.4013 107.3492 45.7635 0.0000 172.7977 131 N 5.1261 7.6734 114.7736 50.3661 40.7063 174.2099 132 E 4.0769 8.7186 117.8994 59.4426 29.9384 179.2685 133 E 3.9149 8.2699 118.8592 59.2200 29.5448 178.4186 134 S 4.1207 8.4067 113.4994 61.5177 62.2639 175.4522 135 T 4.2839 7.6439 110.1587 61.8667 68.4545 175.6419 136 K 4.2739 7.7237 120.7276 58.0522 33.8542 176.9543 137 T 4.1575 7.7925 104.6525 59.9831 70.1418 174.9097 138 G 3.8246 8.1986 110.7550 45.0649 0.0000 173.4566 139 N 4.3137 7.7938 114.9352 54.2753 36.6993 175.2344 140 A 4.5338 7.5053 117.8752 51.0281 19.6342 179.8494 141 G 4.1274 7.4141 105.3412 45.0936 0.0000 173.8142 142 S 4.4083 8.6689 114.6506 58.4497 64.8028 174.2677 143 R 4.3485 8.3802 119.9677 55.3823 29.4791 176.3811 144 L 4.3457 8.8899 125.8937 57.1792 43.1487 177.0359 145 A 4.8699 7.6176 117.9564 51.4617 22.8899 173.8839 146 C 5.5367 8.3714 113.1923 56.2264 46.7924 172.5661 147 G 4.5278 7.9695 104.3149 46.4030 0.0000 172.4329 148 V 4.5899 8.3029 120.3860 61.9827 32.9144 175.3345 149 I 4.2159 8.7112 129.2501 60.8467 38.1455 175.2783 150 G 4.4172 8.9240 114.3056 43.8314 0.0000 171.9917 151 I 4.2659 8.3369 121.2936 60.7910 38.6417 174.8183 152 A 4.8594 8.5231 130.2288 49.5186 22.3535 176.0831 153 Q 4.0721 8.5269 118.5936 56.5107 29.1881 175.9701 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 A 8.26 4.73 1.29 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 0.00 0.00 0.00 2 T 8.88 4.61 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 1.23 0.00 0.00 3 K 9.06 5.33 0.00 1.72 1.74 0.00 1.84 0.00 0.00 1.93 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.50 7.81 4 A 9.09 5.43 1.14 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 5 V 8.78 4.99 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 0.74 0.00 0.00 0.97 0.00 0.00 6 C 9.16 4.93 0.00 3.11 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 V 8.48 4.59 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 0.92 0.00 0.00 8 L 8.86 4.96 0.00 1.68 1.59 1.07 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.92 4.99 0.00 1.66 1.62 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.38 7.81 10 G 8.00 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 11 D 8.81 4.60 0.00 2.67 2.73 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 0.00 0.00 0.00 0.00 12 G 7.67 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 0.00 0.00 0.00 0.00 13 P 0.00 4.54 0.00 2.18 2.15 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.93 0.00 14 V 7.53 4.24 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 0.83 0.00 0.00 0.94 0.00 0.00 15 Q 8.75 4.85 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.41 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 16 G 8.51 4.32 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 0.00 17 I 8.24 5.11 1.81 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 1.20 1.15 0.81 0.00 0.00 18 I 8.74 4.69 1.84 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 1.26 0.45 0.00 0.00 19 N 8.34 4.93 0.00 1.44 1.42 0.00 0.00 6.40 8.02 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 20 F 8.93 5.43 0.00 2.90 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 21 E 9.64 5.30 0.00 2.45 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 0.00 2.31 2.40 0.00 22 Q 9.30 4.84 0.00 2.19 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 23 K 9.08 4.03 0.00 1.78 1.84 0.00 1.84 0.00 0.00 1.76 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.43 1.44 7.81 24 E 7.74 4.72 0.00 2.15 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 2.28 2.31 0.00 25 S 8.55 4.20 0.00 3.86 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 26 N 8.94 4.15 0.00 2.89 2.89 0.00 0.00 7.06 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 27 G 7.87 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 28 P 0.00 4.61 0.00 1.99 2.13 0.00 3.73 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 29 V 8.93 4.58 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 1.36 0.00 0.00 1.07 0.00 0.00 30 K 9.18 4.94 0.00 1.87 1.77 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.47 7.81 31 V 9.05 4.92 2.17 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 0.81 0.00 0.00 1.09 0.00 0.00 32 W 7.57 5.97 0.00 3.53 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 33 G 7.67 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 34 S 7.83 5.12 0.00 3.89 3.62 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 35 I 8.79 5.07 1.78 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.51 0.87 0.00 0.00 36 K 9.29 4.75 0.00 1.75 1.88 0.00 1.32 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.33 7.81 37 G 8.89 3.74 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 0.00 0.00 0.00 38 L 7.67 4.56 0.00 1.78 1.38 0.79 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.17 4.30 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 1.24 0.00 0.00 40 E 8.62 4.02 0.00 1.95 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 2.30 2.34 0.00 41 G 8.58 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 42 L 8.22 4.91 0.00 1.51 1.58 0.92 0.92 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 43 H 9.24 5.02 0.00 2.99 3.31 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.12 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 45 F 8.46 5.47 0.00 2.95 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 46 H 9.07 5.37 0.00 3.14 2.93 0.00 5.68 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 V 8.46 4.43 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 0.97 0.00 0.00 0.87 0.00 0.00 48 H 9.24 5.03 0.00 3.05 3.39 0.00 5.68 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.89 3.67 0.00 1.65 1.12 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 1.47 2.06 0.00 50 F 8.16 4.96 0.00 3.09 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 51 G 8.36 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 0.00 0.00 0.00 52 D 7.99 4.79 0.00 2.62 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.68 5.68 0.00 2.71 2.77 0.00 0.00 7.30 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 54 T 8.50 3.94 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 1.23 0.00 0.00 55 A 7.66 4.68 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 56 G 7.96 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 0.00 0.00 0.00 57 C 8.59 4.45 0.00 2.96 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 58 T 7.87 3.82 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 1.23 0.00 0.00 59 S 7.89 4.53 0.00 4.14 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 60 A 7.49 4.39 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.85 4.11 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 0.00 0.00 0.00 62 P 0.00 4.72 0.00 2.03 2.20 0.00 3.57 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 63 H 8.40 4.48 0.00 2.82 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.06 4.28 0.00 2.88 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 65 N 7.97 5.13 0.00 2.58 2.44 0.00 0.00 6.93 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 66 P 0.00 4.28 0.00 2.13 2.10 0.00 3.10 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.42 0.00 67 L 7.69 4.46 0.00 1.58 1.67 0.90 0.88 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 68 S 7.64 3.62 0.00 3.99 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 69 R 8.01 4.46 0.00 1.79 1.97 0.00 3.13 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.55 0.00 70 K 8.97 4.31 0.00 1.64 1.69 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.51 7.81 71 H 8.78 4.03 0.00 3.14 3.15 0.00 5.93 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 72 G 7.57 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 73 G 9.18 4.11 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 0.00 0.00 0.00 74 P 0.00 4.35 0.00 2.22 2.35 0.00 3.77 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 2.02 2.13 0.00 75 K 7.87 4.30 0.00 1.77 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.46 7.81 76 D 7.76 4.64 0.00 2.77 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 3.93 0.00 1.94 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 2.31 2.29 0.00 78 E 7.94 4.33 0.00 2.01 1.83 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 2.29 2.30 0.00 79 R 7.61 4.74 0.00 1.95 1.87 0.00 2.92 0.00 0.00 2.65 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 80 H 8.94 4.45 0.00 3.48 3.37 0.00 5.65 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.24 3.36 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.30 0.00 0.00 82 G 8.35 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 83 D 7.86 5.41 0.00 2.68 2.70 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 84 L 8.15 4.52 0.00 1.99 1.80 0.79 0.96 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 85 R 8.69 4.00 0.00 1.84 1.94 0.00 3.29 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 86 N 8.75 4.63 0.00 2.66 2.77 0.00 0.00 6.98 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 87 V 8.41 4.11 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.76 0.00 0.00 88 T 8.21 4.97 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 1.20 0.00 0.00 89 A 9.00 4.83 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 90 D 8.67 4.89 0.00 2.89 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 91 K 8.52 3.94 0.00 1.88 1.99 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.46 7.81 92 D 8.33 4.57 0.00 2.82 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.58 4.33 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 0.00 94 V 7.87 4.81 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 1.08 0.00 0.00 0.96 0.00 0.00 95 A 9.04 5.22 1.15 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 96 D 8.63 4.92 0.00 2.56 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 97 V 8.78 4.02 2.01 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 0.86 0.00 0.00 0.73 0.00 0.00 98 S 8.57 4.73 0.00 3.74 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 99 I 9.11 4.79 1.99 0.00 0.00 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 1.18 0.90 1.03 0.00 0.00 100 E 8.90 5.16 0.00 1.97 1.83 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 2.21 2.30 0.00 101 D 9.30 4.81 0.00 2.86 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 0.00 102 S 8.84 4.71 0.00 3.94 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 0.00 103 V 8.27 4.04 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 0.79 0.00 0.00 0.95 0.00 0.00 104 I 7.81 4.02 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.81 1.02 0.00 0.00 105 S 8.20 4.66 0.00 3.85 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 0.00 106 L 8.94 4.63 0.00 1.78 1.63 1.04 0.66 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 0.00 107 S 7.97 4.47 0.00 3.90 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 0.00 108 G 8.52 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 0.00 109 D 8.80 4.53 0.00 2.68 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 0.00 110 H 7.49 4.87 0.00 3.16 3.34 0.00 5.70 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *112 I 8.17 3.76 1.63 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.23 0.92 0.00 0.00 113 I 7.33 3.72 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 1.21 0.39 0.89 0.00 0.00 114 G 9.41 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 0.00 115 R 7.45 4.85 0.00 1.65 1.86 0.00 2.21 0.00 0.00 2.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.24 0.00 116 T 7.99 4.94 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 1.25 0.00 0.00 117 L 8.58 4.78 0.00 1.78 1.54 0.42 0.61 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 0.00 118 V 8.86 4.98 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 0.78 0.00 0.00 0.77 0.00 0.00 119 V 8.69 5.12 2.30 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 0.82 0.00 0.00 1.01 0.00 0.00 120 H 8.96 5.28 0.00 3.20 3.56 0.00 5.66 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.15 4.20 0.00 2.12 2.23 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 2.36 2.34 0.00 122 K 8.36 4.79 0.00 1.72 1.67 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.38 7.81 123 A 8.32 4.48 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 0.00 124 D 9.27 4.72 0.00 2.76 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 0.00 125 D 9.29 4.57 0.00 2.93 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 0.00 126 L 9.60 3.63 0.00 1.87 1.83 0.93 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.56 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 0.00 0.00 0.00 128 K 7.98 4.55 0.00 1.85 1.79 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.49 7.81 129 G 7.90 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 0.00 0.00 0.00 130 G 8.40 3.91 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 0.00 0.00 0.00 131 N 7.67 5.13 0.00 2.75 2.75 0.00 0.00 6.23 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 0.00 132 E 8.72 4.08 0.00 2.02 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 2.40 2.24 0.00 133 E 8.27 3.91 0.00 2.07 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 0.00 2.46 2.45 0.00 134 S 8.41 4.12 0.00 4.03 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 0.00 135 T 7.64 4.28 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 1.23 0.00 0.00 136 K 7.72 4.27 0.00 1.76 1.83 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.39 7.81 137 T 7.79 4.16 4.19 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 1.16 0.00 0.00 138 G 8.20 3.82 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 0.00 0.00 0.00 139 N 7.79 4.31 0.00 3.07 2.89 0.00 0.00 6.85 7.67 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 0.00 140 A 7.51 4.53 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 0.00 141 G 7.41 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 0.00 0.00 0.00 142 S 8.67 4.41 0.00 3.93 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 0.00 143 R 8.38 4.35 0.00 1.68 1.86 0.00 3.18 0.00 0.00 3.12 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 144 L 8.89 4.35 0.00 1.70 1.69 0.93 0.56 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 0.00 145 A 7.62 4.87 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 0.00 146 C 8.37 5.54 0.00 3.05 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 0.00 147 G 7.97 4.53 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 0.00 0.00 0.00 148 V 8.30 4.59 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 0.81 0.00 0.00 0.99 0.00 0.00 149 I 8.71 4.22 1.81 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.37 0.51 0.00 0.00 150 G 8.92 4.42 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 0.00 151 I 8.34 4.27 1.85 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 1.28 1.03 0.90 0.00 0.00 152 A 8.52 4.86 1.22 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 0.00 153 Q 8.53 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.