NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3483 8.3044 118.7959 54.6179 33.2909 175.3798 2 D 4.6186 7.6838 119.8334 53.4003 39.6569 174.3787 3 F 5.1194 8.9420 121.2735 57.0086 41.1572 174.7785 4 R 4.9159 9.2530 119.6451 54.7015 34.4333 174.1494 5 I 4.9784 8.5035 115.4455 59.2415 40.8280 174.4624 6 G 4.4219 9.1702 110.6516 44.6546 0.0000 171.2455 7 Q 5.1400 8.6283 117.4564 54.3057 31.8648 174.4738 8 G 4.3948 9.3071 108.2578 44.7866 0.0000 170.7172 9 Y 5.4466 8.5527 122.0824 55.8938 42.0391 173.6980 10 D 4.5909 8.1953 123.8179 52.9738 45.2874 174.1227 11 V 4.6607 7.7446 121.6716 60.5973 34.7384 173.8962 12 H 5.0177 8.8742 118.2610 54.2033 33.7503 172.9418 13 Q 4.6693 8.6940 119.6124 55.9351 30.2602 174.8826 14 L 5.0613 8.5565 123.0779 54.0640 42.7690 176.7267 15 V 4.6316 9.0840 116.4924 58.6985 35.8457 173.5944 16 P 4.4358 0.0000 0.0000 62.8080 32.7722 176.3440 17 G 4.0924 8.8460 110.2734 47.4053 0.0000 174.3675 18 R 4.7121 7.2500 116.5436 52.9231 33.1312 176.1718 19 P 4.4904 0.0000 0.0000 61.9044 33.0002 175.4958 20 L 4.4449 8.6086 125.8236 54.7330 43.0087 175.3787 21 I 4.9696 8.3142 127.7622 59.6173 39.5322 175.5278 22 I 4.5612 8.4064 128.0835 60.4473 40.3494 176.0778 23 G 4.0067 9.9993 114.1588 46.6554 0.0000 174.9635 24 G 3.8960 8.9768 106.8424 45.0335 0.0000 174.2348 25 V 4.0830 7.5319 120.8279 61.2982 32.4982 174.6708 26 T 4.5756 8.4560 124.4915 63.6126 68.8044 173.8370 27 I 4.3236 8.3877 128.5945 58.4883 39.0939 174.2638 28 P 4.3656 0.0000 0.0000 63.3528 31.2323 175.2996 29 Y 4.6524 8.4323 124.0012 57.3548 41.3899 175.1610 30 E 4.0827 8.1657 122.0845 58.3182 30.0185 176.2394 31 R 4.9388 6.9185 114.7804 54.9078 34.7842 174.4667 32 G 4.5209 8.8881 106.9559 43.6209 0.0000 171.2547 33 L 5.0133 8.4612 119.1192 53.9372 42.8213 176.4323 34 L 4.1858 8.8082 124.7685 52.4968 42.8835 176.8659 35 G 4.5637 8.9461 124.0468 47.1569 0.0000 172.2477 *38 D 4.3595 7.5202 118.6500 50.8179 41.2204 175.3164 39 A 3.5017 7.9964 119.7616 53.1676 16.1980 179.1454 40 D 4.6383 7.4407 119.3445 54.3860 40.5132 175.2572 41 V 3.9294 8.0604 128.2767 63.8811 31.3245 177.9698 42 L 3.8857 7.8291 120.3024 57.8972 42.0495 178.8278 43 L 4.0481 8.0569 118.6320 57.8720 41.5070 179.1242 44 H 4.2746 8.4912 116.2996 58.8416 28.5881 177.6412 45 A 4.0191 7.9906 122.3587 55.2784 18.2903 179.6884 46 I 3.6303 7.6995 118.2967 64.7606 37.1013 178.5467 47 T 3.6986 8.2369 116.9011 66.9144 68.3402 176.1864 48 D 4.5145 8.2753 120.1405 57.4931 40.8982 178.6368 49 A 4.2104 8.3602 121.5335 55.2530 18.2696 179.8004 50 L 3.8559 7.9331 117.2428 57.8875 41.7748 179.4343 51 F 4.5126 8.0982 118.0140 60.6233 38.8464 177.9797 52 G 3.5975 8.7004 105.3795 47.8488 0.0000 175.5666 53 A 4.1789 8.0020 123.4201 53.9639 18.4887 178.7480 54 A 3.0457 7.7890 115.6771 50.8800 19.1654 176.9115 55 A 3.7063 7.5498 119.6406 53.6076 16.6944 177.9042 56 L 4.6305 8.8182 116.8297 55.3698 43.2653 177.7205 57 G 3.9682 8.9789 109.3998 44.8589 0.0000 175.4408 58 D 4.7174 8.0171 126.4474 51.3710 42.6493 175.4525 59 I 3.6647 8.9703 118.8044 64.2640 37.8320 177.9937 60 G 3.7352 7.8989 109.7105 48.0131 0.0000 175.2172 61 R 4.0980 7.5901 117.2022 57.7013 29.8521 182.4592 62 H 4.3735 7.6279 111.4771 56.7420 30.2065 174.2295 63 F 5.3715 7.3093 117.6608 55.7472 41.5932 173.7601 *74 D 4.4227 8.2703 121.3158 54.2172 41.5534 176.1356 75 S 4.2014 8.7554 114.7779 61.5444 62.4912 177.3372 76 R 3.8981 8.0438 120.4864 58.9087 29.8530 178.5199 77 A 3.9400 8.4886 120.8334 55.3178 18.3459 179.7675 78 L 3.5530 7.6786 117.1507 57.5701 41.5911 179.5530 79 L 3.9694 8.2897 120.8415 58.0058 42.0015 179.2340 80 R 3.9006 8.2744 118.4327 59.2185 29.9785 178.6167 81 E 3.9822 8.5444 119.4728 59.3343 29.5703 177.9863 82 C 3.7623 8.6378 119.0368 62.7184 31.4456 175.4903 83 A 3.9202 7.9616 121.8672 55.2169 17.9416 179.3566 84 S 4.0587 8.2261 111.5134 61.9124 62.4955 176.8206 85 R 4.1087 8.3095 120.7119 59.0316 29.7800 179.2086 86 V 3.7207 8.2567 118.4723 66.0221 31.5124 178.0243 87 A 4.3840 8.1115 121.9497 54.5986 17.9790 179.3997 88 Q 3.9340 8.0394 117.2813 58.9858 29.2297 177.5811 89 A 4.3513 7.9773 119.7227 52.5961 18.9310 177.8802 90 G 3.6744 8.3518 106.2390 45.2540 0.0000 172.7082 91 F 5.2287 8.1372 117.3589 55.4112 41.7465 174.7695 92 A 4.8033 9.1856 123.9704 50.3879 21.7211 175.8764 93 I 4.3366 8.2804 121.4909 61.2177 37.6914 175.9030 94 R 4.5181 9.2054 127.2290 58.1377 31.0685 176.2920 95 N 5.1761 7.7330 113.7184 51.9327 41.0331 173.1458 96 V 4.9040 8.7035 118.8576 61.3017 35.0919 173.6775 97 D 5.5175 9.0887 126.6258 52.9327 45.0547 174.0915 98 S 5.0783 8.0206 115.1325 58.0433 66.9023 173.8370 99 T 4.9152 8.7283 117.1088 62.0163 72.4856 172.8941 100 I 4.7108 8.9955 127.0301 59.7666 39.8086 174.6648 101 I 4.9502 9.0074 127.7978 59.6789 39.3198 174.7591 102 A 4.7497 8.8249 129.3254 50.5576 22.0721 176.7268 103 Q 3.8407 9.0092 124.2560 58.7417 29.5217 175.8967 104 A 4.5824 7.3596 117.2315 50.0746 22.1450 173.8321 105 P 4.5432 0.0000 0.0000 61.7474 33.4580 176.2416 106 K 4.0444 8.4796 119.8606 55.2712 31.8293 172.5118 107 L 4.5398 8.4413 122.8638 54.1795 43.1417 178.4306 108 A 3.9405 8.2727 122.3246 54.8220 18.0682 177.2141 109 P 4.4880 0.0000 0.0000 64.0871 31.9668 176.7335 110 H 4.7848 8.2223 116.3504 56.2754 29.6343 176.5116 111 I 3.7215 7.3859 122.2977 64.4942 36.8534 177.8693 112 D 4.3227 8.0911 118.9296 57.3658 40.7215 178.5642 113 A 3.9827 7.9683 120.7482 55.2231 18.3808 179.3513 114 M 4.2874 8.0281 118.5453 58.1547 32.0940 179.0903 115 R 3.9079 8.1729 117.9140 59.2434 30.2498 179.0217 116 A 3.9871 8.2517 120.6162 55.1207 18.3975 179.2504 117 N 4.2283 8.5761 115.3457 56.6504 38.6498 177.5797 118 I 3.6639 8.1505 121.0567 64.4515 37.2435 178.3272 119 A 3.9668 8.4845 121.6659 55.0897 18.2627 179.5986 120 A 3.9283 8.0623 119.1932 55.5423 18.2947 179.7031 121 D 4.3576 8.0750 116.1410 56.8136 40.9600 178.0029 122 L 4.3326 7.9565 116.7575 53.3270 42.9677 175.7014 123 D 4.3501 7.6091 117.8131 55.6231 40.0449 172.9168 124 L 4.8581 8.0953 117.6159 51.9240 45.2446 175.6852 125 P 4.4739 0.0000 0.0000 62.2630 32.4633 177.0686 126 L 3.9362 8.5905 121.7346 58.3926 42.0265 178.3486 127 D 4.6528 8.0710 114.3009 54.6010 39.6283 176.2760 128 R 4.6366 8.2038 118.7478 55.9854 31.6660 175.2594 129 V 4.8832 7.7890 118.7136 61.1995 34.0314 174.3033 130 N 5.1348 9.2188 125.7011 51.7979 42.6426 172.9790 131 V 4.9208 8.2676 123.4357 59.9927 34.6544 174.4763 132 K 4.8817 9.0764 125.6759 54.5249 36.2994 174.8567 133 A 5.2197 8.4514 122.4114 50.3402 22.1312 175.6440 134 K 4.7590 9.1343 119.9572 54.8219 36.9865 176.4599 135 T 4.8783 8.4097 113.2354 60.1713 70.8349 173.5891 136 N 4.7756 8.7897 117.0570 52.9863 38.9661 174.2500 137 E 3.8348 8.5386 113.0175 56.9652 27.6296 175.5004 138 K 4.1151 8.3524 112.2672 56.5220 30.1100 175.5603 139 L 4.3708 7.8951 119.9438 54.3001 43.2822 178.4687 140 G 4.2247 8.4754 111.7152 45.1130 0.0000 173.3162 141 Y 4.3126 8.0648 115.8097 59.9770 37.8270 178.1170 142 L 4.0342 7.0025 120.5489 57.7393 41.9405 179.6019 143 G 3.6457 8.2003 105.4556 47.2298 0.0000 175.0108 144 R 4.4970 7.8135 117.7171 55.7032 30.4936 176.6365 145 G 3.9133 7.9869 106.8796 46.7117 0.0000 174.4988 146 E 4.4673 8.6910 121.1320 57.1649 31.2285 176.1295 147 G 4.6183 7.9553 104.3983 45.2578 0.0000 172.0254 148 I 4.9556 8.8347 119.6170 59.3748 41.1032 174.7493 149 E 5.0797 9.0855 126.6676 54.4016 32.7154 174.3498 150 A 5.2689 8.8296 125.7316 50.2640 22.9547 175.0142 151 Q 5.2956 9.1139 118.6193 54.2335 32.8015 174.6184 152 A 5.2556 9.2671 122.8238 50.4799 23.4177 174.8470 153 A 5.2364 9.1813 120.3878 50.1639 22.9788 175.2357 154 A 5.0698 9.0993 122.1473 50.0743 23.0371 174.6482 155 L 5.1356 8.6860 123.9049 53.4058 44.7134 175.7435 156 V 5.2095 8.9473 118.6028 59.5167 36.5530 174.6896 157 V 4.7432 8.6902 120.5739 59.9752 34.5806 174.9348 158 R 4.3049 9.2160 128.3795 56.4711 29.9568 176.7803 159 E 4.1595 8.2485 121.7964 55.9207 29.8151 173.3414 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 4.35 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 7.68 4.62 0.00 2.82 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 F 8.94 5.12 0.00 3.03 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 4 R 9.25 4.92 0.00 1.58 1.73 0.00 3.29 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 1.68 1.65 0.00 5 I 8.50 4.98 1.87 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 1.29 0.95 0.92 0.00 0.00 6 G 9.17 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 7 Q 8.63 5.14 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 8 G 9.31 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 0.00 0.00 0.00 0.00 9 Y 8.55 5.45 0.00 2.94 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 10 D 8.20 4.59 0.00 2.75 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 11 V 7.74 4.66 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 1.09 0.00 0.00 12 H 8.87 5.02 0.00 3.06 3.15 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.69 4.67 0.00 2.04 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.99 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 14 L 8.56 5.06 0.00 1.59 1.72 1.09 0.93 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 15 V 9.08 4.63 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 0.79 0.00 0.00 1.02 0.00 0.00 16 P 0.00 4.44 0.00 2.06 1.94 0.00 3.75 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 17 G 8.85 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 7.25 4.71 0.00 1.96 1.65 0.00 3.28 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.43 0.00 19 P 0.00 4.49 0.00 2.06 2.00 0.00 3.55 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 2.10 2.08 0.00 20 L 8.61 4.44 0.00 2.11 1.80 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.31 4.97 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 1.32 0.77 0.90 0.00 0.00 22 I 8.41 4.56 1.82 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.65 0.87 0.00 0.00 23 G 10.00 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 0.00 0.00 0.00 24 G 8.98 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 0.00 0.00 0.00 25 V 7.53 4.08 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 0.93 0.00 0.00 0.99 0.00 0.00 26 T 8.46 4.58 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 1.20 0.00 0.00 27 I 8.39 4.32 1.77 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 0.81 0.55 0.79 0.00 0.00 28 P 0.00 4.37 0.00 1.99 2.05 0.00 3.72 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 2.07 2.11 0.00 29 Y 8.43 4.65 0.00 2.90 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 30 E 8.17 4.08 0.00 2.03 1.86 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 2.23 1.91 0.00 31 R 6.92 4.94 0.00 1.88 2.01 0.00 3.08 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.36 0.00 32 G 8.89 4.52 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 0.00 0.00 0.00 33 L 8.46 5.01 0.00 1.55 1.56 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.81 4.19 0.00 1.67 1.58 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.95 4.56 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 0.00 0.00 0.00 *38 D 7.52 4.36 0.00 2.77 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 39 A 8.00 3.50 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 40 D 7.44 4.64 0.00 2.80 2.48 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 41 V 8.06 3.93 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 0.88 0.00 0.00 42 L 7.83 3.89 0.00 1.75 1.82 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.06 4.05 0.00 1.76 1.71 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 H 8.49 4.27 0.00 3.44 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 7.99 4.02 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 46 I 7.70 3.63 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 1.02 0.88 0.00 0.00 47 T 8.24 3.70 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 48 D 8.28 4.51 0.00 3.11 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 49 A 8.36 4.21 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 50 L 7.93 3.86 0.00 1.61 1.52 0.82 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 51 F 8.10 4.51 0.00 3.17 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 52 G 8.70 3.60 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 0.00 0.00 0.00 53 A 8.00 4.18 1.25 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 0.00 0.00 0.00 54 A 7.79 3.05 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 55 A 7.55 3.71 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.82 4.63 0.00 1.80 1.77 1.19 1.18 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 57 G 8.98 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 8.02 4.72 0.00 3.04 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 59 I 8.97 3.66 2.21 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.99 0.00 0.00 60 G 7.90 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 61 R 7.59 4.10 0.00 1.88 1.85 0.00 3.25 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 62 H 7.63 4.37 0.00 2.03 2.10 0.00 5.61 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 7.31 5.37 0.00 3.09 2.86 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 *74 D 8.27 4.42 0.00 3.15 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 75 S 8.76 4.20 0.00 4.00 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 76 R 8.04 3.90 0.00 1.96 1.95 0.00 3.12 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 1.77 1.67 0.00 77 A 8.49 3.94 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 7.68 3.55 0.00 1.74 1.27 0.77 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.29 3.97 0.00 1.79 1.79 0.87 0.91 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 8.27 3.90 0.00 2.02 1.96 0.00 3.17 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.77 0.00 81 E 8.54 3.98 0.00 2.13 2.15 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 2.62 2.78 0.00 82 C 8.64 3.76 0.00 2.80 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 7.96 3.92 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 84 S 8.23 4.06 0.00 3.95 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 85 R 8.31 4.11 0.00 2.25 2.17 0.00 3.41 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 86 V 8.26 3.72 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 1.09 0.00 0.00 0.91 0.00 0.00 87 A 8.11 4.38 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 8.04 3.93 0.00 2.23 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 89 A 7.98 4.35 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 90 G 8.35 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 91 F 8.14 5.23 0.00 3.14 2.95 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 92 A 9.19 4.80 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 93 I 8.28 4.34 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 0.63 0.92 0.00 0.00 94 R 9.21 4.52 0.00 1.91 2.05 0.00 3.47 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 1.77 2.04 0.00 95 N 7.73 5.18 0.00 2.84 2.87 0.00 0.00 5.56 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 8.70 4.90 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 9.09 5.52 0.00 2.75 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 8.02 5.08 0.00 4.01 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 99 T 8.73 4.92 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 9.00 4.71 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 0.74 0.93 0.00 0.00 101 I 9.01 4.95 1.86 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 0.84 0.92 0.00 0.00 102 A 8.82 4.75 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 9.01 3.84 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.71 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 104 A 7.36 4.58 1.28 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 0.00 105 P 0.00 4.54 0.00 2.13 2.02 0.00 3.31 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.47 0.00 106 K 8.48 4.04 0.00 1.80 1.66 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.04 7.81 107 L 8.44 4.54 0.00 1.66 1.71 0.87 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 108 A 8.27 3.94 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 0.00 109 P 0.00 4.49 0.00 2.02 2.09 0.00 3.67 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 1.69 1.89 0.00 110 H 8.22 4.78 0.00 3.25 3.32 0.00 5.62 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 0.00 111 I 7.39 3.72 2.03 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 0.68 0.95 0.00 0.00 112 D 8.09 4.32 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 7.97 3.98 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 8.03 4.29 0.00 2.08 2.28 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.60 0.00 115 R 8.17 3.91 0.00 2.03 1.98 0.00 3.12 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 1.84 0.00 116 A 8.25 3.99 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 0.00 117 N 8.58 4.23 0.00 2.94 2.87 0.00 0.00 7.07 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.15 3.66 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 0.68 0.90 0.00 0.00 119 A 8.48 3.97 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 0.00 120 A 8.06 3.93 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 0.00 121 D 8.07 4.36 0.00 2.78 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 7.96 4.33 0.00 1.60 1.69 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 123 D 7.61 4.35 0.00 2.77 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.10 4.86 0.00 1.59 1.53 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.47 0.00 2.41 2.18 0.00 3.71 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 2.08 1.96 0.00 126 L 8.59 3.94 0.00 1.74 1.71 0.92 1.10 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 0.00 127 D 8.07 4.65 0.00 2.82 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 0.00 128 R 8.20 4.64 0.00 1.90 2.09 0.00 3.08 0.00 0.00 3.32 7.16 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 7.79 4.88 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 0.78 0.00 0.00 0.93 0.00 0.00 130 N 9.22 5.13 0.00 2.83 2.77 0.00 0.00 6.17 7.33 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 0.00 131 V 8.27 4.92 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 1.17 0.00 0.00 0.92 0.00 0.00 132 K 9.08 4.88 0.00 1.76 1.63 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.47 7.81 133 A 8.45 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 0.00 134 K 9.13 4.76 0.00 1.58 1.63 0.00 1.66 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.50 7.81 135 T 8.41 4.88 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 1.20 0.00 0.00 136 N 8.79 4.78 0.00 2.76 2.70 0.00 0.00 7.75 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 0.00 137 E 8.54 3.83 0.00 2.06 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 2.24 2.39 0.00 138 K 8.35 4.12 0.00 1.90 1.91 0.00 1.81 0.00 0.00 2.59 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.35 7.81 139 L 7.90 4.37 0.00 1.79 1.52 0.90 1.12 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 0.00 140 G 8.48 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 0.00 141 Y 8.06 4.31 0.00 3.34 3.29 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 0.00 142 L 7.00 4.03 0.00 1.47 1.65 0.85 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 143 G 8.20 3.65 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 0.00 0.00 0.00 144 R 7.81 4.50 0.00 1.89 2.02 0.00 3.26 0.00 0.00 3.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.83 0.00 145 G 7.99 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 0.00 146 E 8.69 4.47 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 147 G 7.96 4.62 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 0.00 0.00 0.00 148 I 8.83 4.96 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 0.68 0.93 0.00 0.00 149 E 9.09 5.08 0.00 2.09 1.78 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 2.19 2.22 0.00 150 A 8.83 5.27 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 0.00 151 Q 9.11 5.30 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.34 0.00 152 A 9.27 5.26 1.18 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 0.00 0.00 0.00 153 A 9.18 5.24 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 9.10 5.07 1.21 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 0.00 0.00 155 L 8.69 5.14 0.00 1.78 1.68 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 156 V 8.95 5.21 2.25 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 0.65 0.00 0.00 0.76 0.00 0.00 157 V 8.69 4.74 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.28 0.00 0.00 158 R 9.22 4.30 0.00 1.69 1.93 0.00 2.41 0.00 0.00 3.07 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.23 0.00 159 E 8.25 4.16 0.00 2.01 1.69 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 2.21 2.11 0.00 * Residues marked with a * may have inaccurate shift predictions.