NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3704 8.3044 120.3048 55.2457 34.2005 176.1901 2 D 4.5505 7.3900 121.3049 52.7698 39.1668 174.6025 3 F 5.0345 8.7879 120.5366 57.3851 41.0952 175.5591 4 R 4.9291 9.2367 119.8260 54.6190 34.6612 174.2443 5 I 4.9670 8.4584 115.0614 59.3692 40.9335 174.4171 6 G 4.5287 9.0484 109.8826 44.7940 0.0000 171.3405 7 Q 5.1778 8.5807 117.5348 54.3964 32.6238 173.9772 8 G 4.4822 9.2846 107.1460 45.0191 0.0000 170.7696 9 Y 5.4533 8.5084 121.6922 56.0075 42.3370 173.5703 10 D 4.5936 8.2749 123.8358 53.1746 45.3409 174.0962 11 V 4.8930 7.7510 121.3326 60.7128 34.5925 173.5394 12 H 4.9915 8.8805 118.6265 53.9169 33.4667 172.9693 13 Q 4.5831 8.7161 119.8621 56.0278 30.1447 174.8758 14 L 5.2279 8.7708 125.9481 53.4898 43.4851 175.9393 15 V 4.6436 8.7933 125.8788 59.0054 35.0464 173.4374 16 P 4.6458 0.0000 0.0000 64.1832 31.5546 176.6136 17 G 4.0892 9.2064 109.8114 45.1441 0.0000 173.6954 18 R 4.8866 7.7349 118.2173 53.3333 34.3102 173.4158 19 P 4.6741 0.0000 0.0000 62.8072 33.4444 174.9674 20 L 4.6387 8.4618 123.2961 53.8983 43.0602 175.2421 21 I 4.9487 8.2266 127.6721 59.4826 39.5996 174.9857 22 I 4.7967 8.2290 126.0490 60.4507 39.9688 175.8916 23 G 3.7056 9.8939 113.7954 46.7153 0.0000 175.1695 24 G 3.8822 9.1594 107.3545 45.0110 0.0000 174.3368 25 V 4.1481 7.4032 120.6620 61.2824 32.6452 174.5481 26 T 4.6931 8.4210 124.4117 63.2789 69.1185 173.9480 27 I 4.4726 8.5670 128.4670 58.3390 39.3205 173.9325 28 P 4.4320 0.0000 0.0000 63.2922 31.7314 175.1658 29 Y 4.8197 8.2405 122.5710 56.6485 41.3619 174.4660 30 E 4.1459 7.5926 123.5239 57.9601 29.7538 176.6446 31 R 4.8777 7.1540 115.4746 54.7852 34.8791 173.9791 32 G 4.8727 9.1316 107.0517 43.9829 0.0000 171.4046 33 L 4.9571 8.0951 122.2002 54.5711 42.5692 177.5191 34 L 4.4586 8.5326 126.5331 54.1560 41.9320 173.9843 35 G 4.0715 8.2296 114.2594 45.3733 0.0000 172.8633 *36 H 4.4363 9.2176 115.6248 56.9575 29.7115 171.8519 37 S 4.4623 8.4530 110.0760 58.2484 62.7573 174.5420 38 D 4.4510 9.4817 119.9097 52.3600 40.6741 176.4484 39 A 3.4985 7.8390 121.6005 53.1429 16.1441 178.6925 40 D 4.7043 8.1011 122.1232 53.9637 40.2694 175.2416 41 V 4.1575 7.9014 128.0898 63.7873 31.4219 178.0431 42 L 3.8862 7.7868 120.2845 57.9909 42.0587 178.7614 43 L 4.0261 8.0752 118.9509 57.9100 41.3994 179.2138 44 H 4.2703 8.3880 116.0902 58.9272 28.6971 177.6109 45 A 4.0271 7.9542 122.4044 55.3196 18.2137 179.7873 46 I 3.6700 7.8546 118.2537 64.6769 37.1272 178.7422 47 T 3.7146 8.2495 116.9419 66.7844 68.2558 176.2840 48 D 4.5308 8.4729 120.6986 57.5103 40.8806 178.8130 49 A 4.2506 8.1141 122.5103 54.5070 18.4463 179.8123 50 L 3.8477 7.9339 117.4705 58.0036 41.6904 179.5909 51 F 4.5526 8.1100 117.9272 60.6386 38.9194 178.0156 52 G 3.6140 8.6401 105.5295 47.7749 0.0000 175.6874 53 A 4.2786 8.2200 123.3503 53.8409 18.4756 178.6734 54 A 3.0715 7.5767 115.8420 50.8361 19.6257 176.7325 55 A 3.6845 7.3996 119.0777 53.4442 16.6139 177.7768 56 L 4.6140 8.5719 117.2201 55.2541 43.3170 177.6113 57 G 3.9732 9.1819 107.5340 44.3673 0.0000 174.8238 58 D 4.8207 8.0813 125.7742 50.6566 42.4527 175.6162 59 I 3.9550 9.4327 120.0871 64.9762 36.7182 178.9448 60 G 3.7836 8.1179 104.3542 47.7584 0.0000 175.4811 61 R 3.9596 7.8225 119.5820 59.0431 30.1038 178.1655 62 H 4.0683 7.2699 114.9414 57.5010 29.2778 174.6040 63 F 5.1543 8.0624 117.5076 55.3219 42.1862 173.5792 *73 A 3.9995 8.3289 122.9609 52.4616 19.4629 177.2138 74 D 4.6954 8.2397 122.9565 52.6676 42.1731 177.7562 75 S 4.1979 8.8871 115.7212 61.3728 62.5900 177.3591 76 R 3.8751 8.0639 120.6927 58.9196 29.9174 178.4698 77 A 3.9315 8.2251 120.6601 55.1882 18.3412 179.7092 78 L 3.3274 7.6054 117.0707 57.5321 41.5345 179.4967 79 L 3.9288 8.0759 120.4824 58.1912 42.0460 179.2514 80 R 3.8892 8.1162 118.1114 59.2531 30.0221 178.7119 81 E 4.0264 8.3004 119.1430 59.1723 29.5567 178.0872 82 C 3.9867 8.7191 119.1313 62.7435 31.5046 175.5729 83 A 3.9282 8.1201 122.1246 55.1541 17.9283 179.5065 84 S 4.0688 8.2182 111.6375 61.6827 62.4932 176.7294 85 R 4.0536 8.2543 120.7971 59.1429 29.8453 179.0922 86 V 3.7333 8.2410 118.2394 66.0583 31.5436 177.9284 87 A 4.4453 8.1646 121.8290 54.9428 18.0140 179.7046 88 Q 4.0179 8.1432 115.2721 58.7332 28.8883 178.1019 89 A 4.2996 7.9955 120.0024 52.7799 18.5791 178.0177 90 G 3.7841 7.7187 105.3982 44.6254 0.0000 173.3290 91 F 5.1540 8.3126 118.7292 55.5488 41.5420 174.4858 92 A 4.7882 9.0865 125.3985 50.3859 21.0337 176.2578 93 I 4.1522 8.4185 123.3795 61.6628 37.4678 175.8513 94 R 4.6031 9.0132 126.3517 57.8135 31.6606 176.1281 95 N 4.9722 7.6260 113.2400 52.1336 40.6548 173.4568 96 V 4.9617 8.7710 119.3937 61.2714 35.0470 173.7563 97 D 5.4152 9.2607 126.0383 51.7847 45.2388 174.0213 98 S 5.0895 8.1846 115.5036 58.0408 66.6085 173.2355 99 T 5.0711 8.8275 116.6834 62.1324 72.7268 173.0168 100 I 4.7212 8.9167 127.5758 59.9110 39.6106 174.6896 101 I 4.9742 8.8676 128.0747 59.6550 39.0437 174.6569 102 A 4.8562 8.8259 128.9982 50.3978 22.0547 176.9272 103 Q 3.8573 8.9965 123.2848 58.7356 29.6287 175.7409 104 A 4.4279 7.2737 117.3616 50.3951 21.7909 173.9704 105 P 4.5351 0.0000 0.0000 61.0759 33.4095 175.6657 106 K 4.0648 8.4051 117.8518 56.9430 32.2854 177.1168 107 L 4.4879 8.4175 122.1238 55.3259 43.3249 178.3049 108 A 3.9541 8.2597 120.9075 55.1272 17.8646 177.7633 109 P 4.2074 0.0000 0.0000 64.9683 31.6706 177.3934 110 H 4.8060 8.0142 113.5807 55.5184 29.1861 176.6382 111 I 3.7013 7.4309 123.3733 64.6475 36.9670 177.8942 112 D 4.3587 8.1176 118.9098 57.2361 40.6291 178.6275 113 A 3.9970 7.9194 120.8135 55.3709 18.3970 179.4248 114 M 4.2586 8.0608 118.4971 58.1044 32.0222 179.1564 115 R 3.8810 8.3630 118.3293 59.1906 30.2547 178.8984 116 A 3.9894 8.3630 120.8461 55.2943 18.4087 179.4322 117 N 4.2711 8.2639 114.8813 56.5066 38.6412 177.8168 118 I 3.6748 8.0655 121.1622 64.3362 37.1686 178.2983 119 A 3.9804 8.4101 121.8256 55.0055 18.2975 179.4011 120 A 3.9178 8.0010 119.1571 55.7029 18.3095 179.7504 121 D 4.3635 8.0020 115.6275 56.7451 40.9420 178.0225 122 L 4.3609 7.8128 116.7791 53.2897 42.7494 175.5941 123 D 4.3539 7.6226 117.4532 55.4840 40.1575 172.9444 124 L 4.8278 7.7762 116.4361 51.8524 44.7360 175.5465 125 P 4.3642 0.0000 0.0000 62.4575 32.2671 177.2740 126 L 3.9023 8.6971 123.5391 58.3870 42.0187 178.1959 127 D 4.6316 8.0654 114.3962 54.1299 39.4458 176.2989 128 R 4.6209 8.3227 118.1000 56.0593 31.7218 175.1659 129 V 4.7909 7.8120 119.2714 61.0633 33.6421 174.3669 130 N 5.1160 9.2324 125.7372 51.7727 42.6072 172.9386 131 V 4.9486 8.2994 123.8247 59.9849 34.4189 174.5519 132 K 4.8362 8.9865 126.3297 54.5403 35.7341 174.8210 133 A 5.1975 8.4059 122.6632 50.3057 21.7637 175.6800 134 K 4.7575 9.2821 121.0343 54.9116 37.0084 176.1234 135 T 4.9330 8.3718 112.7955 59.5541 71.4985 173.6063 136 N 4.7395 8.6291 116.4063 52.7367 39.0052 174.1262 137 E 3.9181 8.6608 113.2617 57.0822 27.6271 175.4114 138 K 4.1415 8.1720 112.3056 56.6404 30.7062 175.6221 139 L 4.3778 7.9234 119.8689 54.1134 43.1042 178.2881 140 G 3.9487 8.5470 112.6926 44.8473 0.0000 173.2825 141 Y 4.3598 8.1588 115.8872 60.1962 37.5490 178.5118 142 L 4.0922 7.1137 120.3648 57.6643 41.5127 179.5498 143 G 3.6852 8.0450 105.2696 46.9728 0.0000 174.8369 144 R 4.5607 7.7113 118.1564 55.2659 30.4030 176.5977 145 G 3.9577 7.8305 106.7417 46.7422 0.0000 174.6704 146 E 4.4052 8.7062 120.2738 57.0835 30.7553 176.0558 147 G 4.4660 7.6646 104.5553 45.7131 0.0000 172.6703 148 I 4.9473 8.6001 120.0642 59.3537 41.0593 174.6352 149 E 5.0626 8.9895 126.8947 54.4591 32.5507 174.3589 150 A 5.2785 8.8352 125.8690 50.2977 23.0155 175.0047 151 Q 5.2432 9.2279 118.7849 54.1934 32.9427 174.5412 152 A 5.2357 9.0751 122.8513 50.3542 23.3300 174.8108 153 A 5.2241 9.2733 121.1529 50.1321 22.7961 175.1830 154 A 5.0479 9.1312 122.4217 50.0410 23.1548 174.6073 155 L 5.0941 8.8095 123.3821 53.4240 44.8103 175.7994 156 V 5.2106 8.8886 118.5867 59.5900 36.4704 174.6242 157 V 4.9050 8.9977 120.5891 59.8729 34.8935 175.6842 158 R 3.8809 8.7190 119.4499 56.3046 28.5931 175.8806 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 8.30 4.37 0.00 2.17 2.20 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.56 0.00 2 D 7.39 4.55 0.00 2.84 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 3 F 8.79 5.03 0.00 3.03 2.98 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 4 R 9.24 4.93 0.00 1.60 1.73 0.00 3.30 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 5 I 8.46 4.97 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 1.29 1.01 0.93 0.00 0.00 6 G 9.05 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 7 Q 8.58 5.18 0.00 2.15 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 8 G 9.28 4.48 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 0.00 0.00 0.00 9 Y 8.51 5.45 0.00 2.93 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 10 D 8.27 4.59 0.00 2.77 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 11 V 7.75 4.89 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 0.77 0.00 0.00 1.05 0.00 0.00 12 H 8.88 4.99 0.00 3.06 3.27 0.00 5.62 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 13 Q 8.72 4.58 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.33 0.00 14 L 8.77 5.23 0.00 1.64 1.76 1.01 0.98 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 15 V 8.79 4.64 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 0.91 0.00 0.00 0.94 0.00 0.00 16 P 0.00 4.65 0.00 1.94 1.99 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 17 G 9.21 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 18 R 7.73 4.89 0.00 1.71 1.79 0.00 3.29 0.00 0.00 3.39 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 19 P 0.00 4.67 0.00 2.11 2.17 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 20 L 8.46 4.64 0.00 2.10 1.84 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.23 4.95 1.83 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 1.39 1.08 0.87 0.00 0.00 22 I 8.23 4.80 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.76 0.86 0.00 0.00 23 G 9.89 3.71 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 0.00 0.00 0.00 24 G 9.16 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 0.00 0.00 0.00 25 V 7.40 4.15 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 0.94 0.00 0.00 0.98 0.00 0.00 26 T 8.42 4.69 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 27 I 8.57 4.47 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.54 0.80 0.00 0.00 28 P 0.00 4.43 0.00 2.12 2.10 0.00 3.80 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.00 0.00 29 Y 8.24 4.82 0.00 2.94 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 30 E 7.59 4.15 0.00 1.45 1.75 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 2.16 2.24 0.00 31 R 7.15 4.88 0.00 1.82 1.89 0.00 3.15 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.40 0.00 32 G 9.13 4.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 L 8.10 4.96 0.00 1.62 1.56 0.89 0.99 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 34 L 8.53 4.46 0.00 1.43 1.46 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.23 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 0.00 0.00 0.00 *36 H 9.22 4.44 0.00 2.94 3.00 0.00 7.15 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 37 S 8.45 4.46 0.00 3.92 3.52 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 38 D 9.48 4.45 0.00 2.75 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 39 A 7.84 3.50 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 40 D 8.10 4.70 0.00 2.77 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.90 4.16 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 1.06 0.00 0.00 1.04 0.00 0.00 42 L 7.79 3.89 0.00 1.74 1.86 0.90 0.65 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 43 L 8.08 4.03 0.00 1.72 1.70 0.89 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.39 4.27 0.00 3.48 3.38 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.95 4.03 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 46 I 7.85 3.67 1.98 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 1.51 1.01 0.88 0.00 0.00 47 T 8.25 3.71 4.48 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 1.27 0.00 0.00 48 D 8.47 4.53 0.00 3.02 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 49 A 8.11 4.25 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 50 L 7.93 3.85 0.00 1.60 1.52 0.82 0.78 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 51 F 8.11 4.55 0.00 3.19 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 52 G 8.64 3.61 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 0.00 0.00 0.00 53 A 8.22 4.28 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 54 A 7.58 3.07 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 7.40 3.68 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.57 4.61 0.00 1.78 1.71 1.13 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 G 9.18 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 D 8.08 4.82 0.00 3.08 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 59 I 9.43 3.95 1.98 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.96 1.13 0.00 0.00 60 G 8.12 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 R 7.82 3.96 0.00 1.70 1.71 0.00 3.00 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 62 H 7.27 4.07 0.00 1.79 2.03 0.00 5.59 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.06 5.15 0.00 3.02 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 *73 A 8.33 4.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.24 4.70 0.00 3.17 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 S 8.89 4.20 0.00 3.87 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.06 3.88 0.00 2.01 2.02 0.00 3.11 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.66 0.00 77 A 8.23 3.93 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 78 L 7.61 3.33 0.00 1.71 1.16 0.79 -0.43 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 79 L 8.08 3.93 0.00 1.83 1.79 0.86 1.13 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 80 R 8.12 3.89 0.00 2.02 1.96 0.00 3.17 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.81 0.00 81 E 8.30 4.03 0.00 2.14 2.16 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 2.66 2.81 0.00 82 C 8.72 3.99 0.00 2.91 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 83 A 8.12 3.93 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.22 4.07 0.00 3.96 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 85 R 8.25 4.05 0.00 2.29 2.14 0.00 3.42 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 2.03 0.00 86 V 8.24 3.73 2.21 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 1.09 0.00 0.00 0.94 0.00 0.00 87 A 8.16 4.45 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.14 4.02 0.00 2.34 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 89 A 8.00 4.30 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.72 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 8.31 5.15 0.00 3.15 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 92 A 9.09 4.79 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 93 I 8.42 4.15 1.89 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 1.35 0.60 0.92 0.00 0.00 94 R 9.01 4.60 0.00 1.92 2.06 0.00 3.48 0.00 0.00 3.36 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.03 0.00 95 N 7.63 4.97 0.00 2.86 2.88 0.00 0.00 5.60 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 96 V 8.77 4.96 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 0.92 0.00 0.00 0.92 0.00 0.00 97 D 9.26 5.42 0.00 2.78 2.43 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 98 S 8.18 5.09 0.00 3.98 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 99 T 8.83 5.07 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 1.21 0.00 0.00 100 I 8.92 4.72 1.84 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 0.68 0.92 0.00 0.00 101 I 8.87 4.97 1.87 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 1.16 0.81 0.92 0.00 0.00 102 A 8.83 4.86 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Q 9.00 3.86 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.54 2.42 0.00 104 A 7.27 4.43 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 0.00 105 P 0.00 4.54 0.00 2.11 1.92 0.00 3.33 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.56 0.00 106 K 8.41 4.06 0.00 1.76 1.78 0.00 1.73 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.41 7.81 107 L 8.42 4.49 0.00 1.67 1.68 0.87 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.26 3.95 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 0.00 109 P 0.00 4.21 0.00 1.63 2.00 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.11 0.00 110 H 8.01 4.81 0.00 3.13 3.28 0.00 5.62 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.43 3.70 1.86 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 1.81 0.95 0.94 0.00 0.00 112 D 8.12 4.36 0.00 2.67 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 0.00 113 A 7.92 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 M 8.06 4.26 0.00 2.07 2.23 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.58 0.00 115 R 8.36 3.88 0.00 1.98 1.97 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 116 A 8.36 3.99 1.37 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 0.00 117 N 8.26 4.27 0.00 2.98 2.86 0.00 0.00 7.08 7.10 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 0.00 118 I 8.07 3.67 1.86 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 1.44 0.86 0.90 0.00 0.00 119 A 8.41 3.98 1.41 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 0.00 120 A 8.00 3.92 1.41 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 0.00 121 D 8.00 4.36 0.00 2.79 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 0.00 122 L 7.81 4.36 0.00 1.62 1.69 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.62 4.35 0.00 2.77 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 0.00 124 L 7.78 4.83 0.00 1.64 1.54 0.92 1.25 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 0.00 125 P 0.00 4.36 0.00 2.37 1.98 0.00 3.62 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 126 L 8.70 3.90 0.00 1.71 1.68 0.92 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 127 D 8.07 4.63 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 0.00 128 R 8.32 4.62 0.00 1.90 2.07 0.00 3.08 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 129 V 7.81 4.79 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 0.73 0.00 0.00 0.93 0.00 0.00 130 N 9.23 5.12 0.00 2.83 2.77 0.00 0.00 6.18 7.23 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 0.00 131 V 8.30 4.95 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 1.24 0.00 0.00 0.92 0.00 0.00 132 K 8.99 4.84 0.00 1.77 1.65 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.50 7.81 133 A 8.41 5.20 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 0.00 134 K 9.28 4.76 0.00 1.58 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.50 7.81 135 T 8.37 4.93 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 1.24 0.00 0.00 136 N 8.63 4.74 0.00 2.74 2.71 0.00 0.00 7.00 7.65 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 0.00 137 E 8.66 3.92 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 138 K 8.17 4.14 0.00 1.92 1.91 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.35 7.81 139 L 7.92 4.38 0.00 1.79 1.52 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 140 G 8.55 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 0.00 141 Y 8.16 4.36 0.00 3.26 3.28 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 0.00 142 L 7.11 4.09 0.00 1.50 1.67 0.88 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.05 3.69 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 0.00 0.00 0.00 144 R 7.71 4.56 0.00 1.87 2.01 0.00 3.29 0.00 0.00 3.26 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 145 G 7.83 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.71 4.41 0.00 2.21 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 2.49 0.00 147 G 7.66 4.47 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 0.00 0.00 0.00 148 I 8.60 4.95 1.87 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.23 0.93 0.00 0.00 149 E 8.99 5.06 0.00 2.10 1.79 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 2.20 2.19 0.00 150 A 8.84 5.28 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 9.23 5.24 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 152 A 9.08 5.24 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 0.00 153 A 9.27 5.22 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 A 9.13 5.05 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.81 5.09 0.00 1.78 1.70 1.04 0.69 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 0.00 156 V 8.89 5.21 2.27 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 0.66 0.00 0.00 0.73 0.00 0.00 157 V 9.00 4.90 1.56 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 0.75 0.00 0.00 0.12 0.00 0.00 158 R 8.72 3.88 0.00 1.63 1.98 0.00 3.19 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.