NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.3032 8.0393 120.6673 61.7071 32.7737 174.5249 2 R 4.6678 8.0476 116.5595 53.8911 33.1167 172.2425 3 I 5.1916 8.1500 121.3422 59.9344 39.9760 176.1442 4 R 4.8185 8.7527 121.3168 54.9474 33.2977 174.3822 5 R 4.1649 8.4323 118.3685 55.9861 30.6629 176.8047 6 A 4.4187 8.5227 124.6987 51.7821 19.6684 176.7918 7 G 4.1918 8.9444 108.0827 43.0977 0.0000 174.4120 8 L 4.0612 8.3021 118.0068 57.5957 41.7266 179.8668 9 E 4.0191 8.0393 117.0211 58.9616 29.8243 178.2977 10 D 4.4599 7.8335 118.2294 56.3095 40.7497 178.4519 11 L 3.8477 7.5391 120.4029 57.3438 41.6840 177.4838 12 P 4.2657 0.0000 0.0000 65.5941 31.2697 178.8894 13 G 3.4386 7.8484 103.9935 47.5622 0.0000 175.7682 14 V 3.2451 7.6663 120.4454 65.6203 31.3761 178.0157 15 A 3.8290 8.3499 120.7597 55.1087 18.1696 179.9086 16 R 3.1030 7.4598 116.4918 58.9056 29.9904 179.2710 17 V 3.5926 7.6693 118.0987 65.9742 31.4389 177.5756 18 L 4.0782 8.0439 120.0965 58.3580 41.9685 179.0905 19 V 3.6435 8.1267 118.0404 66.2661 31.5957 177.8644 20 D 4.5293 8.7983 118.9986 57.8020 40.6716 178.9614 21 T 4.0498 8.3950 116.4375 66.0967 68.4274 176.9645 22 W 3.8287 8.6110 121.3294 59.8996 28.9447 178.7279 23 R 4.1341 8.2351 116.3440 59.3089 29.5837 178.7332 24 A 4.1920 8.0718 119.6753 55.3013 18.5079 179.4643 25 T 3.9679 8.2013 113.6885 65.9964 68.7567 175.9315 26 Y 4.9050 7.7671 117.0350 56.5989 38.0582 175.4121 27 R 4.0390 7.7427 119.5854 58.1652 30.4168 176.7776 28 G 4.0022 9.1202 109.8080 46.0296 0.0000 173.3916 29 V 4.1931 8.3908 118.3357 63.5767 33.4027 175.9106 30 V 4.3075 7.6054 117.2897 60.1197 33.2915 173.8348 31 P 4.3346 0.0000 0.0000 63.2759 32.7988 177.2292 32 E 4.0570 9.0395 121.3909 59.5337 29.4232 179.1665 33 A 4.1405 8.1721 120.1922 55.4382 18.2427 179.0966 34 F 3.8386 8.3392 118.0015 61.5863 39.2758 177.1703 35 L 4.2881 8.1644 117.0213 58.0704 41.5204 179.1645 36 E 4.2121 8.7594 118.1018 59.2017 29.4119 179.3130 37 G 3.4816 7.9573 105.3723 46.4290 0.0000 174.1842 38 L 3.6884 6.5422 119.3837 55.1603 42.4555 177.0887 39 S 4.5791 8.1438 114.8860 56.0997 65.6387 174.4910 40 Y 4.3419 8.3405 126.7522 61.3870 37.8115 178.6308 41 E 4.0801 8.2589 119.0768 59.2435 29.7201 179.2745 42 G 3.6257 8.8557 106.6845 48.0383 0.0000 175.5303 43 Q 4.0017 8.2799 121.0438 58.5946 28.7746 179.0282 44 A 4.0795 8.1938 121.6639 55.1067 18.2799 179.3572 45 E 3.8489 8.3454 117.8921 59.3235 29.6114 179.1738 46 R 3.6821 7.9285 118.0857 59.1339 30.0744 179.1406 47 W 3.8641 7.9031 118.3124 59.4326 28.9874 178.4147 48 A 4.0006 8.0072 121.1219 55.0700 17.5968 179.5879 49 Q 3.8179 7.8973 115.1462 59.4876 28.8724 178.7945 50 R 3.3515 7.2370 119.9168 58.6287 29.6843 179.0705 51 L 4.1585 7.7060 117.4865 57.6322 41.6869 179.1905 52 K 4.4360 7.7782 116.3288 56.9304 32.4807 177.1168 53 T 4.3331 7.5689 117.5153 61.6708 68.1265 173.4988 54 P 4.3007 0.0000 0.0000 65.6325 31.4341 177.6496 55 T 4.3699 7.8406 104.8781 61.0976 69.2478 174.3276 56 W 4.4706 8.2610 134.1315 57.3152 30.7685 173.8960 57 P 4.4282 0.0000 0.0000 63.2040 31.3613 176.5317 58 G 2.1372 5.3800 106.1781 45.7569 0.0000 173.4397 59 R 4.6896 8.5944 120.1415 54.0671 33.9775 174.2890 60 L 5.3486 8.5607 123.3202 53.0965 44.6338 175.4678 61 F 5.3895 9.5731 121.3230 55.8858 43.4082 174.3805 62 V 5.1461 9.2141 113.8400 59.6408 36.1972 174.2293 63 A 5.2231 8.9503 124.7396 50.3763 20.9888 175.5502 64 E 4.9660 9.0716 122.5614 54.8239 32.2632 176.7823 65 S 4.6431 8.6787 118.3433 57.0892 64.7131 174.6860 66 E 3.9648 9.0062 120.7642 59.4287 29.1815 177.8527 67 S 4.2888 7.9997 110.5978 58.7437 63.5898 174.5210 68 G 4.0874 7.7844 108.4317 44.6563 0.0000 174.1656 69 E 3.9609 8.0204 119.5946 55.9402 30.0229 176.4596 70 V 4.2179 7.9813 121.6611 62.6957 31.5078 175.9065 71 V 4.1037 8.2629 119.8157 60.7425 33.3383 175.4473 72 G 4.6253 7.7330 106.8792 45.5974 0.0000 172.2371 73 F 5.5787 9.2189 115.3238 55.9545 41.8647 172.8411 74 A 4.7850 9.2446 120.4194 50.4993 23.0341 174.9740 75 A 5.3423 8.8301 123.5852 50.1899 22.1690 175.3795 76 F 4.5737 8.7726 120.2532 55.8252 43.5067 174.9001 77 G 2.9545 7.1048 106.7865 44.8229 0.0000 170.8758 78 P 4.9424 0.0000 0.0000 62.3601 32.1567 176.0089 79 D 4.6510 9.2763 121.6042 54.5541 41.7822 177.2934 80 R 4.3556 8.8144 124.6791 56.4111 29.2784 176.9681 81 A 3.8827 7.8039 122.8034 53.4927 16.2907 177.7782 82 S 4.5428 9.2921 116.3293 59.0483 63.9586 176.2423 83 G 3.7543 8.5665 107.6861 46.0465 0.0000 173.8013 84 F 4.7461 8.0081 119.5022 53.8165 39.4602 172.2712 85 P 4.4981 0.0000 0.0000 64.4048 31.6869 177.0802 86 G 3.8336 9.2475 110.5597 45.1308 0.0000 172.8168 87 Y 4.3229 7.8957 117.1905 56.7288 38.0342 175.0618 88 T 4.6337 8.4651 115.4203 61.9267 70.8882 174.2941 89 A 4.9203 8.1817 123.2525 50.2893 21.9361 175.4403 90 E 4.8370 8.7533 119.0023 54.8190 33.8596 174.2243 91 L 4.1672 8.4269 128.6683 53.6408 41.5237 176.1670 92 W 4.8622 8.5644 127.9232 59.8493 29.7410 176.9409 93 A 4.7589 7.8337 117.8970 51.2671 22.1362 175.4819 94 I 4.3273 7.6130 120.3677 60.0303 41.1136 173.5574 95 Y 4.6294 8.3164 126.3274 56.3802 42.6629 174.1487 96 V 4.8216 8.2330 122.4752 60.6029 34.6739 175.0029 97 L 4.0910 9.1094 127.8357 55.2491 42.3131 176.4887 98 P 4.1917 0.0000 0.0000 66.1266 31.3854 178.2458 99 T 4.0920 8.0075 104.6209 62.8252 69.0176 174.7538 100 W 4.5531 8.5487 121.4417 56.5315 29.2177 176.2239 101 Q 4.1932 7.8714 118.6618 56.2978 28.7297 175.7066 102 R 3.8112 8.4304 114.9708 57.8667 27.5737 177.1685 103 K 4.4992 7.5603 109.5224 55.9582 33.6075 177.8723 104 G 4.0343 8.3107 107.2299 45.9439 0.0000 175.9546 105 L 4.1008 7.9350 120.5116 57.6521 41.6450 179.3033 106 G 3.3832 7.9462 105.2254 47.6839 0.0000 175.4677 107 R 4.1633 8.1850 120.6022 59.2198 30.2138 178.2545 108 A 4.0625 8.0894 120.5308 55.1286 18.3721 179.6185 109 L 3.8660 8.2317 117.6186 57.8088 41.6522 179.3447 110 F 4.0564 8.7464 120.9436 61.8810 39.3752 176.8889 111 H 4.2067 8.9162 116.0790 58.8148 28.5596 177.6492 112 E 3.8181 8.1213 120.4721 59.2240 29.2564 179.7375 113 G 2.0000 6.7002 105.1892 46.8874 0.0000 175.6004 114 A 3.4108 7.0103 123.6674 54.3445 18.0938 179.7575 115 R 3.8015 7.6113 117.2687 59.4371 30.1987 178.5976 116 L 3.9444 7.5341 119.9915 58.1363 42.1290 178.8871 117 L 4.0591 8.1032 119.3392 57.6687 41.4579 179.3006 118 Q 3.9821 8.2753 119.5862 59.2568 28.8414 178.2870 119 A 4.0999 7.9081 120.4066 54.7463 18.4878 178.5486 120 E 4.2757 8.0527 114.8397 56.5339 29.7801 177.2373 121 G 3.7759 7.9894 107.2684 46.0930 0.0000 172.8702 122 Y 4.4439 7.8242 117.3039 56.5061 39.2193 176.2872 123 G 3.7853 8.4543 112.3037 49.3167 0.0000 173.0488 124 R 5.1351 7.4070 117.6640 54.6915 34.7923 173.8898 *126 L 4.7680 8.3959 119.2968 56.6463 42.5608 175.8813 127 V 4.7522 8.0601 117.3111 60.1114 34.8364 173.6258 128 W 5.4034 8.9084 123.7868 55.2924 30.9501 175.8931 129 V 4.8118 9.2027 123.1049 59.7233 35.0476 174.4860 130 L 4.4393 8.7652 122.6565 55.0840 42.0011 177.9913 131 K 3.9399 9.2294 125.7254 59.6776 32.2157 176.9807 132 E 4.5740 8.1498 115.8587 56.6421 29.8436 176.2077 133 N 4.9731 8.0440 120.2029 50.6275 38.8093 172.7589 134 P 4.3503 0.0000 0.0000 64.9259 31.6215 177.8958 135 K 3.9917 8.1679 117.0126 59.5536 32.0953 179.4387 136 G 3.5287 8.3822 105.8004 47.7445 0.0000 175.8859 137 R 4.1397 8.3279 120.6561 59.1040 30.1708 179.3823 138 G 3.6138 8.4493 105.9096 47.6004 0.0000 175.4870 139 F 4.1075 8.0155 122.8060 61.3383 39.4053 176.9359 140 Y 3.9760 7.5250 116.2179 60.9858 37.6524 178.1472 141 E 3.7632 8.1002 119.8667 59.7921 29.3712 178.9409 142 H 4.0884 7.9578 116.7474 59.1008 29.9825 176.5052 143 L 4.1352 7.2276 117.7954 54.9017 41.6950 177.5922 144 G 4.0162 8.0148 107.1039 44.5996 0.0000 174.6047 145 G 2.6180 7.4273 107.3637 46.3380 0.0000 173.4868 146 V 4.4998 7.9073 117.0684 58.8232 34.2156 175.2095 147 L 3.6492 8.4759 127.3117 55.4375 41.8142 176.1551 148 L 4.1749 8.1020 126.0492 55.3398 44.0227 176.3999 149 G 4.3095 6.9377 102.7971 46.8883 0.0000 171.6655 150 E 5.8674 9.0860 116.3121 55.9587 32.5593 174.5171 151 R 4.9465 9.7820 116.1741 55.4793 33.2179 173.4021 152 E 4.6850 8.4283 120.3927 55.0980 31.1271 175.2224 153 I 4.5425 8.8735 117.1798 58.8649 41.8055 173.4086 154 E 4.9603 8.4600 121.6357 54.5011 32.1336 174.6657 155 L 4.5379 8.5378 126.8124 53.6715 45.4784 176.2007 156 G 3.9760 8.4243 111.3958 47.3180 0.0000 175.2122 157 G 3.8919 8.7501 112.1670 45.0768 0.0000 172.7670 158 A 4.2388 7.7970 123.4769 51.3840 19.8857 176.4864 159 K 4.6140 8.4715 123.5394 55.4112 33.2007 175.7552 160 L 4.8977 9.0003 126.7237 52.7142 46.4105 175.4525 161 W 5.1843 8.6269 120.3849 55.7633 31.3141 174.9981 162 E 5.3084 9.8459 124.3568 54.6560 32.6694 174.8152 163 V 5.1721 9.4110 118.7258 59.5736 35.7365 174.2581 164 A 4.5353 8.1263 123.8528 50.0627 21.7883 175.0101 165 Y 4.6169 8.2963 118.2493 55.9100 41.6238 175.0903 166 G 4.3347 8.7382 109.8920 44.4692 0.0000 172.1968 167 F 5.3733 8.9012 119.7676 55.4794 43.2069 173.6003 168 D 4.7348 9.1495 122.1929 53.8770 41.9108 175.5324 169 L 4.7583 8.9204 125.9224 56.8534 42.8088 177.1712 170 G 3.8510 7.8856 106.7612 47.0997 0.0000 172.7298 171 G 4.3312 9.0674 115.4431 45.9093 0.0000 174.0714 172 H 4.0099 7.4878 117.2356 55.3534 30.3179 174.5834 173 K 4.2601 7.4914 125.6479 54.6901 32.2491 176.2590 174 W 4.5061 8.6521 125.4502 56.8529 29.2236 176.4937 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 V 8.04 4.30 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 1.02 0.00 0.00 1.01 0.00 0.00 2 R 8.05 4.67 0.00 1.95 1.99 0.00 3.02 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.74 0.00 3 I 8.15 5.19 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.57 1.01 0.00 0.00 4 R 8.75 4.82 0.00 1.89 2.03 0.00 2.78 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 1.55 1.63 0.00 5 R 8.43 4.16 0.00 1.59 1.68 0.00 2.21 0.00 0.00 2.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.37 0.00 6 A 8.52 4.42 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 7 G 8.94 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 0.00 0.00 0.00 0.00 8 L 8.30 4.06 0.00 1.72 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.04 4.02 0.00 1.94 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 2.30 2.32 0.00 10 D 7.83 4.46 0.00 2.78 2.64 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 11 L 7.54 3.85 0.00 1.71 1.71 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.27 0.00 2.08 2.05 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 13 G 7.85 3.44 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 0.00 14 V 7.67 3.25 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 -0.24 0.00 0.00 0.68 0.00 0.00 15 A 8.35 3.83 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.46 3.10 0.00 1.70 1.52 0.00 2.79 0.00 0.00 2.78 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.32 0.00 17 V 7.67 3.59 2.29 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 1.37 0.00 0.00 0.87 0.00 0.00 18 L 8.04 4.08 0.00 1.76 1.81 0.58 1.46 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 19 V 8.13 3.64 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 1.11 0.00 0.00 1.08 0.00 0.00 20 D 8.80 4.53 0.00 2.84 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 21 T 8.39 4.05 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 22 W 8.61 3.83 0.00 3.69 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 8.24 4.13 0.00 2.14 2.10 0.00 3.27 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.94 0.00 24 A 8.07 4.19 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 25 T 8.20 3.97 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 26 Y 7.77 4.90 0.00 3.13 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 27 R 7.74 4.04 0.00 1.85 1.97 0.00 3.35 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 28 G 9.12 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 29 V 8.39 4.19 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 1.08 0.00 0.00 30 V 7.61 4.31 2.26 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 0.92 0.00 0.00 0.66 0.00 0.00 31 P 0.00 4.33 0.00 2.33 2.06 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 32 E 9.04 4.06 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 33 A 8.17 4.14 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 34 F 8.34 3.84 0.00 3.25 3.33 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 35 L 8.16 4.29 0.00 1.98 1.92 1.19 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.76 4.21 0.00 2.00 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 2.37 2.61 0.00 37 G 7.96 3.48 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 38 L 6.54 3.69 0.00 1.52 1.52 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 39 S 8.14 4.58 0.00 3.73 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Y 8.34 4.34 0.00 2.96 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 41 E 8.26 4.08 0.00 2.00 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 2.41 2.41 0.00 42 G 8.86 3.63 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 0.00 0.00 0.00 43 Q 8.28 4.00 0.00 2.33 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 44 A 8.19 4.08 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.35 3.85 0.00 2.14 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 2.25 2.32 0.00 46 R 7.93 3.68 0.00 1.65 1.53 0.00 2.97 0.00 0.00 2.94 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.80 0.00 47 W 7.90 3.86 0.00 3.37 3.20 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 48 A 8.01 4.00 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 49 Q 7.90 3.82 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.89 0.00 0.00 0.00 0.00 0.00 2.16 2.41 0.00 50 R 7.24 3.35 0.00 1.09 0.66 0.00 2.35 0.00 0.00 2.54 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.14 0.00 51 L 7.71 4.16 0.00 1.72 1.76 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 K 7.78 4.44 0.00 1.91 1.85 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.65 7.81 53 T 7.57 4.33 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 1.30 0.00 0.00 54 P 0.00 4.30 0.00 2.09 2.18 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.14 0.00 55 T 7.84 4.37 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 1.27 0.00 0.00 56 W 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.22 0.00 65 S 8.68 4.64 0.00 4.23 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 66 E 9.01 3.96 0.00 2.05 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 0.00 2.34 2.36 0.00 67 S 8.00 4.29 0.00 4.06 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.78 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 69 E 8.02 3.96 0.00 1.79 1.72 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 2.32 2.40 0.00 70 V 7.98 4.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.85 0.00 0.00 71 V 8.26 4.10 0.98 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 -0.67 0.00 0.00 0.13 0.00 0.00 72 G 7.73 4.63 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 0.00 0.00 0.00 73 F 9.22 5.58 0.00 3.18 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 74 A 9.24 4.78 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 75 A 8.83 5.34 1.63 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 0.00 0.00 76 F 8.77 4.57 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 G 7.10 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 0.00 0.00 0.00 78 P 0.00 4.94 0.00 2.33 2.40 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 2.30 2.15 0.00 79 D 9.28 4.65 0.00 2.86 2.83 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 0.00 0.00 0.00 80 R 8.81 4.36 0.00 2.03 1.87 0.00 3.07 0.00 0.00 2.32 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 81 A 7.80 3.88 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 82 S 9.29 4.54 0.00 4.43 4.78 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 83 G 8.57 3.75 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 0.00 0.00 0.00 84 F 8.01 4.75 0.00 3.25 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 85 P 0.00 4.50 0.00 2.12 2.08 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 86 G 9.25 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.90 4.32 0.00 3.34 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 88 T 8.47 4.63 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 1.30 0.00 0.00 89 A 8.18 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 E 8.75 4.84 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 2.59 2.62 0.00 91 L 8.43 4.17 0.00 1.46 1.45 0.88 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 92 W 8.56 4.86 0.00 3.64 3.39 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 93 A 7.83 4.76 1.65 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 94 I 7.61 4.33 1.63 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.61 0.83 0.00 0.00 95 Y 8.32 4.63 0.00 3.02 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 96 V 8.23 4.82 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 0.93 0.00 0.00 0.82 0.00 0.00 97 L 9.11 4.09 0.00 1.92 1.88 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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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 G 8.45 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.41 5.14 0.00 1.36 1.66 0.00 2.21 0.00 0.00 2.90 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.40 0.00 *126 L 8.40 4.77 0.00 1.44 1.40 0.94 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 127 V 8.06 4.75 1.84 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 0.06 0.00 0.00 0.81 0.00 0.00 128 W 8.91 5.40 0.00 3.28 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 9.20 4.81 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 1.25 0.00 0.00 1.20 0.00 0.00 130 L 8.77 4.44 0.00 1.69 1.67 0.29 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 131 K 9.23 3.94 0.00 1.83 2.11 0.00 1.60 0.00 0.00 1.78 0.00 0.00 2.80 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.43 7.81 132 E 8.15 4.57 0.00 2.07 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 0.00 2.37 2.30 0.00 133 N 8.04 4.97 0.00 3.02 2.99 0.00 0.00 7.25 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 0.00 134 P 0.00 4.35 0.00 2.22 2.12 0.00 3.71 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.23 0.00 135 K 8.17 3.99 0.00 1.96 1.76 0.00 1.60 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.48 7.81 136 G 8.38 3.53 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 0.00 137 R 8.33 4.14 0.00 1.99 2.13 0.00 3.68 0.00 0.00 3.61 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.03 0.00 138 G 8.45 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 0.00 139 F 8.02 4.11 0.00 2.91 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 0.00 140 Y 7.53 3.98 0.00 2.46 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 0.00 141 E 8.10 3.76 0.00 1.97 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 2.38 2.12 0.00 142 H 7.96 4.09 0.00 3.16 3.38 0.00 5.94 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 0.00 143 L 7.23 4.14 0.00 1.50 1.56 0.60 -0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 144 G 8.01 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 145 G 7.43 2.62 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 0.00 146 V 7.91 4.50 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 0.60 0.00 0.00 0.82 0.00 0.00 147 L 8.48 3.65 0.00 1.36 1.40 0.44 0.81 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 0.00 148 L 8.10 4.17 0.00 0.43 0.52 -0.81 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 149 G 6.94 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 0.00 150 E 9.09 5.87 0.00 2.18 1.91 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 2.23 2.47 0.00 151 R 9.78 4.95 0.00 1.75 2.08 0.00 2.23 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.29 0.00 152 E 8.43 4.68 0.00 1.42 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 1.47 1.47 0.00 153 I 8.87 4.54 1.74 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.84 0.76 0.00 0.00 154 E 8.46 4.96 0.00 1.84 1.74 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 2.12 2.34 0.00 155 L 8.54 4.54 0.00 1.46 0.97 0.74 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.42 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 0.00 157 G 8.75 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 0.00 158 A 7.80 4.24 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 0.00 159 K 8.47 4.61 0.00 1.67 1.61 0.00 1.57 0.00 0.00 1.59 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.09 1.24 7.81 160 L 9.00 4.90 0.00 1.48 1.44 0.88 0.84 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 0.00 161 W 8.63 5.18 0.00 3.33 3.07 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 0.00 162 E 9.85 5.31 0.00 2.03 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 0.00 2.68 2.52 0.00 163 V 9.41 5.17 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 0.70 0.00 0.00 0.96 0.00 0.00 164 A 8.13 4.54 -0.64 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 0.00 165 Y 8.30 4.62 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 G 8.74 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 0.00 167 F 8.90 5.37 0.00 2.94 3.18 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 0.00 168 D 9.15 4.73 0.00 2.80 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 0.00 169 L 8.92 4.76 0.00 2.01 1.75 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 170 G 7.89 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 171 G 9.07 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 0.00 172 H 7.49 4.01 0.00 3.16 3.24 0.00 5.93 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 0.00 173 K 7.49 4.26 0.00 1.59 1.45 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.25 1.40 7.81 174 W 8.65 4.51 0.00 3.32 3.08 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.