NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.3229 8.2993 122.1421 54.6257 34.2907 176.8179 8 S 4.2615 7.9329 115.1612 56.6323 64.8668 173.0932 9 D 4.3092 8.7901 121.7851 57.7524 41.4041 179.6991 10 R 3.8905 7.9724 118.4488 59.5808 30.1171 178.2902 11 Q 3.9996 7.9469 117.3666 59.0170 28.6384 178.6803 12 Q 4.0331 8.2351 119.0617 59.2494 28.7912 178.7969 13 N 4.3783 8.3671 117.3194 56.2823 38.4154 177.6254 14 Q 4.0133 8.0048 119.4799 59.1611 28.8531 178.4943 15 T 3.9825 7.9961 116.7525 66.8003 68.5204 176.5850 16 R 3.8975 8.3965 120.8875 59.2164 30.0080 178.3793 17 L 3.9621 8.0080 120.1598 57.9261 42.1409 178.7440 18 W 4.5238 8.5075 128.4536 60.6802 30.6560 177.8440 19 L 3.7125 8.2007 119.0424 57.7599 40.9621 179.3138 20 N 4.2873 8.1853 116.3826 56.2609 38.4318 177.4130 21 I 3.6797 7.9007 121.1986 64.4820 37.1892 178.3297 22 L 3.6179 7.4528 119.7104 57.7092 41.2872 179.7854 23 R 3.7816 7.9540 118.4860 59.3417 30.1749 178.3537 24 L 3.9265 8.0293 120.2815 58.3119 41.9978 178.2789 25 H 4.2662 8.5393 118.5619 59.2162 29.5202 177.4959 26 G 3.5749 8.4222 107.8319 47.8075 0.0000 175.4558 27 L 4.0430 7.9520 121.9904 57.4025 42.3330 178.6800 28 V 3.8850 7.7074 117.7004 65.1920 31.7247 177.5539 29 F 3.8792 8.5470 120.8619 61.1444 39.2006 176.8311 30 G 4.0121 7.7811 105.1931 48.4461 0.0000 175.1786 31 D 4.2967 7.9666 121.2127 56.6378 41.0391 178.3971 32 L 3.7765 7.8613 120.8544 58.0619 41.9038 178.5910 33 N 4.0456 8.2256 117.2017 56.5245 39.1112 176.4683 34 R 3.8609 8.0103 120.2012 59.9820 30.2296 178.4491 35 Q 3.9716 8.2728 117.6566 58.6843 28.6971 178.3934 36 L 3.8516 7.9311 121.4388 57.8994 42.0130 178.7551 37 L 4.0876 8.1081 120.7279 57.4402 41.4474 179.2609 38 D 4.2834 7.7449 115.5682 57.0434 41.1782 177.4644 39 E 4.2860 7.9191 117.9850 57.7850 29.8767 177.1485 40 T 4.4412 7.6798 105.6041 59.9479 70.1976 175.1674 41 G 3.9490 8.5610 110.0445 45.4294 0.0000 173.1822 42 L 4.6609 7.5772 120.4402 53.0796 43.5603 176.6285 43 S 4.5121 8.3082 117.7753 57.4212 65.7642 175.3268 44 L 4.0647 9.1158 122.5985 57.8657 41.2327 179.9025 45 A 4.0864 8.0431 120.1092 55.1083 18.2570 179.4437 46 K 3.8755 7.9279 115.5719 59.7734 32.2916 178.8086 47 F 4.3751 8.5163 119.6116 61.4889 39.2657 176.2336 48 D 4.4555 8.8284 117.6968 57.1497 40.9962 178.9337 49 A 3.9437 7.9117 119.1321 52.4092 18.4130 179.0406 *51 A 3.1612 7.9989 125.6001 53.5864 20.5670 180.2555 52 Q 3.9111 7.4761 113.5289 59.0529 28.7535 178.6326 53 L 4.0157 7.7761 119.8180 57.3506 41.3354 179.3689 54 A 3.8037 7.2974 119.7213 55.2213 18.3898 179.4515 55 R 4.1145 7.5499 114.8555 57.7064 31.3469 176.9109 56 N 4.9053 7.4274 116.9559 49.7788 38.3869 172.8739 57 P 4.1869 0.0000 0.0000 65.4658 31.5576 178.0669 58 D 4.3714 7.9386 116.3548 54.6134 41.1482 176.1373 59 G 3.9502 8.7686 105.4307 44.7652 0.0000 172.7880 60 L 4.8955 8.4174 117.3639 52.4750 46.6259 177.4630 61 S 4.5685 8.2289 114.3418 58.2754 62.5834 176.5155 *63 G 3.8581 8.9119 105.6967 45.3859 0.0000 174.5672 64 K 3.9426 7.8865 118.2878 58.8602 32.1864 178.9346 65 L 4.0364 8.0671 120.7212 58.2359 41.6755 178.6430 66 S 4.1780 8.2395 112.6774 61.6950 62.0255 176.2581 67 G 3.4141 8.2088 105.5222 46.5564 0.0000 174.4598 68 A 4.4747 7.8072 121.6274 51.9234 20.0248 177.5975 69 L 4.0297 6.9017 117.5888 55.2690 42.1136 177.4840 70 K 4.2473 8.9482 122.6678 57.9258 32.8144 177.6376 71 V 3.9070 8.9206 120.1854 62.0478 31.8627 175.2811 72 T 3.8925 8.6668 122.0834 62.5833 67.3508 172.5660 73 N 5.0115 8.7264 126.4054 51.7052 40.7427 175.0070 74 G 4.0103 8.3456 109.4125 45.4241 0.0000 173.9746 75 N 4.7848 7.2669 114.9170 51.8555 40.5582 174.8051 76 V 3.7097 7.7198 123.2793 64.3016 31.9831 178.6530 77 S 4.1935 8.0994 115.5246 61.3250 62.7798 176.6011 78 G 3.6259 8.0440 108.4334 47.6463 0.0000 175.3765 79 L 3.9610 7.8305 122.8177 57.9185 42.1912 179.1833 80 V 3.5629 8.0575 118.4578 66.0248 31.5473 177.2857 81 N 4.2927 8.4904 117.0793 56.9638 38.7314 177.0355 82 R 3.9759 8.1818 119.3234 59.2510 30.0916 179.0704 83 L 4.1074 7.9604 118.7079 57.4925 41.2968 179.6506 84 I 4.2921 7.4603 120.8230 63.6641 37.1671 178.0160 85 K 4.0887 7.7556 118.1031 59.7321 31.9465 178.8572 86 D 4.5314 7.9580 118.3208 54.8624 42.0910 176.4639 87 G 3.6294 7.3944 106.4129 45.5619 0.0000 172.5880 *89 V 4.0882 7.1966 119.5676 63.1487 33.6767 174.8401 90 V 4.7010 8.5630 119.3285 58.9302 35.3311 174.9374 91 K 4.3321 8.6007 124.7076 56.9483 32.0118 176.5278 92 A 3.9845 9.4033 134.2173 55.3811 19.0075 177.7970 *101 F 4.6837 7.6188 113.2448 57.4997 39.8889 176.1161 102 S 4.8728 8.2692 110.1428 57.9362 66.5306 172.7581 103 A 5.3199 8.8817 122.9305 50.1861 22.3881 175.1757 104 K 4.8350 8.8158 120.3999 54.1888 35.9949 175.4840 105 L 4.4444 8.5537 128.9245 55.3607 43.1162 176.6716 106 T 4.4258 8.3080 115.5263 60.4206 70.9771 175.3564 107 D 4.3474 8.6361 120.4013 57.5082 40.6149 178.8891 108 A 4.1475 8.0515 120.9606 55.0981 18.3906 179.7848 109 G 3.5851 8.2485 104.4454 47.7969 0.0000 175.7184 110 L 4.1381 8.1675 122.6072 57.8930 42.2208 179.2135 111 T 3.8910 8.0698 115.8675 66.8950 68.4017 176.6907 112 T 4.0504 8.2838 118.0368 66.8275 68.5396 176.3414 113 F 4.3614 8.5424 122.5108 61.2062 39.4990 177.3510 114 K 3.7497 7.9831 117.8117 59.5593 31.4827 179.2595 115 Q 4.0447 7.9441 117.7214 59.0766 28.6693 179.0040 116 A 3.9990 8.4383 121.8951 54.7674 18.3011 179.9884 117 S 3.9960 7.9774 114.1148 61.7992 62.9165 176.2846 118 E 3.8867 7.6206 119.8569 59.6649 29.1494 179.5798 119 A 3.9098 7.5723 119.8248 55.1843 18.3457 179.1484 120 H 3.7676 7.9573 116.6918 59.5178 29.8313 177.3495 121 N 4.2961 8.4539 118.6970 56.1610 38.3404 177.5304 122 R 3.8325 8.0521 120.1947 59.4518 30.2226 178.6968 123 I 3.6570 7.9570 120.0442 64.0402 37.0312 178.2122 124 L 3.7984 8.1553 121.3495 58.0215 41.7368 178.4924 125 A 3.9500 7.8618 119.7707 55.5323 18.3803 178.9692 126 E 3.9928 8.2454 117.3416 59.4393 29.5018 178.9822 127 L 4.0349 7.8366 117.9570 57.0757 41.8657 178.4699 128 L 4.5977 7.7939 117.5081 54.4298 41.7016 178.6841 129 R 3.8777 7.6953 118.4576 58.6406 29.3251 177.2755 130 A 4.4033 7.8154 118.6071 51.7882 19.6364 176.4566 131 V 4.0582 7.5179 117.3421 61.2076 32.3220 176.0220 132 S 4.3722 8.4517 122.0829 57.9632 63.8483 173.8054 133 D 4.4887 8.8267 123.0165 57.7958 41.1240 177.8924 134 Q 4.1021 8.2902 119.4586 59.4808 29.2365 178.7122 135 D 4.5333 7.9224 113.6488 55.4027 40.7161 178.4152 *137 V 4.0095 7.9145 120.8748 63.1143 33.3819 177.5165 138 E 3.9822 8.4140 119.0234 59.1507 29.2234 178.9885 139 A 4.0048 8.1509 120.9752 55.4767 18.3877 179.7369 140 S 4.1698 8.0395 110.7990 61.2553 62.6014 176.0168 141 A 3.9685 8.1132 123.5283 55.0727 18.1605 179.5242 142 A 3.9918 8.1404 119.3580 55.2175 18.4613 179.9286 143 L 4.0064 8.4187 118.0592 57.8986 41.6281 179.8151 144 R 4.0568 8.4259 118.5536 59.0735 30.0032 179.0966 145 G 3.7308 8.0230 105.3845 48.0432 0.0000 175.7133 146 I 3.7450 7.4408 121.0422 64.0775 37.2366 178.3464 147 L 4.1446 7.7817 118.5052 57.5632 41.4790 178.8558 148 E 4.0682 8.1963 118.6799 59.2912 29.7252 177.3022 149 S 4.4231 7.9493 118.2528 59.0352 63.1261 174.1068 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 7 K 8.30 4.32 0.00 1.79 1.79 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.01 7.81 8 S 7.93 4.26 0.00 4.04 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 9 D 8.79 4.31 0.00 2.73 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 10 R 7.97 3.89 0.00 1.92 1.91 0.00 3.23 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.73 0.00 11 Q 7.95 4.00 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 12 Q 8.24 4.03 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.79 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 13 N 8.37 4.38 0.00 2.89 2.89 0.00 0.00 7.09 6.99 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 14 Q 8.00 4.01 0.00 2.29 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 15 T 8.00 3.98 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 1.27 0.00 0.00 16 R 8.40 3.90 0.00 2.11 2.10 0.00 3.11 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 17 L 8.01 3.96 0.00 1.94 1.95 0.99 1.08 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 18 W 8.51 4.52 0.00 3.42 3.14 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 19 L 8.20 3.71 0.00 1.70 1.63 0.92 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 20 N 8.19 4.29 0.00 3.00 2.87 0.00 0.00 7.01 7.53 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 21 I 7.90 3.68 2.03 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.08 0.98 0.00 0.00 22 L 7.45 3.62 0.00 1.38 1.38 0.09 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.95 3.78 0.00 1.84 2.05 0.00 3.06 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 24 L 8.03 3.93 0.00 1.80 1.65 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 H 8.54 4.27 0.00 3.27 3.44 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 26 G 8.42 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 0.00 0.00 0.00 27 L 7.95 4.04 0.00 1.85 1.81 0.91 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.71 3.88 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 0.96 0.00 0.00 29 F 8.55 3.88 0.00 3.13 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 7.78 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 31 D 7.97 4.30 0.00 2.66 2.68 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 0.00 0.00 0.00 0.00 32 L 7.86 3.78 0.00 1.68 1.67 0.69 0.22 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 33 N 8.23 4.05 0.00 2.51 2.85 0.00 0.00 6.81 7.39 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 34 R 8.01 3.86 0.00 2.08 2.06 0.00 3.14 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 1.62 1.69 0.00 35 Q 8.27 3.97 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 36 L 7.93 3.85 0.00 1.76 1.71 0.62 0.21 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 37 L 8.11 4.09 0.00 1.95 1.71 0.93 0.69 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 38 D 7.74 4.28 0.00 2.67 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 39 E 7.92 4.29 0.00 1.96 1.94 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 2.28 2.52 0.00 40 T 7.68 4.44 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 1.17 0.00 0.00 41 G 8.56 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 42 L 7.58 4.66 0.00 1.81 1.69 1.14 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 43 S 8.31 4.51 0.00 4.21 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 44 L 9.12 4.06 0.00 1.51 1.68 0.07 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 45 A 8.04 4.09 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 7.93 3.88 0.00 2.00 1.98 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.52 1.51 7.81 47 F 8.52 4.38 0.00 3.02 3.31 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 48 D 8.83 4.46 0.00 2.94 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 49 A 7.91 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 *51 A 8.00 3.16 1.13 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 52 Q 7.48 3.91 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.94 0.00 0.00 0.00 0.00 0.00 2.52 2.50 0.00 53 L 7.78 4.02 0.00 1.52 1.59 0.85 0.90 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 54 A 7.30 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 7.55 4.11 0.00 1.94 1.96 0.00 3.09 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 56 N 7.43 4.91 0.00 2.72 2.67 0.00 0.00 6.66 7.80 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 57 P 0.00 4.19 0.00 2.15 2.18 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 1.97 1.99 0.00 58 D 7.94 4.37 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.77 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 60 L 8.42 4.90 0.00 1.63 1.47 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.23 4.57 0.00 3.99 3.31 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 *63 G 8.91 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 0.00 0.00 0.00 64 K 7.89 3.94 0.00 1.75 1.87 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.43 7.81 65 L 8.07 4.04 0.00 1.83 1.69 0.87 0.73 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 66 S 8.24 4.18 0.00 3.92 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 67 G 8.21 3.41 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 0.00 68 A 7.81 4.47 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 69 L 6.90 4.03 0.00 1.66 1.93 0.94 0.86 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 70 K 8.95 4.25 0.00 1.96 1.94 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.48 1.40 7.81 71 V 8.92 3.91 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 0.97 0.00 0.00 1.21 0.00 0.00 72 T 8.67 3.89 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 1.19 0.00 0.00 73 N 8.73 5.01 0.00 2.73 2.71 0.00 0.00 7.02 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 74 G 8.35 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 75 N 7.27 4.78 0.00 2.69 2.66 0.00 0.00 6.91 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 76 V 7.72 3.71 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 0.93 0.00 0.00 0.93 0.00 0.00 77 S 8.10 4.19 0.00 3.89 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 78 G 8.04 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 79 L 7.83 3.96 0.00 1.82 1.85 0.98 0.98 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 80 V 8.06 3.56 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 0.93 0.00 0.00 0.96 0.00 0.00 81 N 8.49 4.29 0.00 3.04 2.89 0.00 0.00 7.26 7.60 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 82 R 8.18 3.98 0.00 2.06 1.98 0.00 3.20 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.83 0.00 83 L 7.96 4.11 0.00 1.88 1.72 0.92 0.76 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 84 I 7.46 4.29 2.01 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 1.73 1.81 0.91 0.00 0.00 85 K 7.76 4.09 0.00 1.91 1.89 0.00 1.91 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.49 7.81 86 D 7.96 4.53 0.00 2.87 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 87 G 7.39 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 *89 V 7.20 4.09 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 0.99 0.00 0.00 0.90 0.00 0.00 90 V 8.56 4.70 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 0.65 0.00 0.00 0.98 0.00 0.00 91 K 8.60 4.33 0.00 1.76 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.44 7.81 92 A 9.40 3.98 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 *101 F 7.62 4.68 0.00 2.11 2.14 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 0.00 102 S 8.27 4.87 0.00 3.93 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 0.00 103 A 8.88 5.32 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 0.00 104 K 8.82 4.83 0.00 1.76 1.57 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.44 7.81 105 L 8.55 4.44 0.00 1.60 1.50 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 106 T 8.31 4.43 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 1.25 0.00 0.00 107 D 8.64 4.35 0.00 2.72 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 0.00 108 A 8.05 4.15 1.33 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 0.00 109 G 8.25 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.14 0.00 1.88 1.70 1.01 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.07 3.89 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 112 T 8.28 4.05 4.37 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 1.29 0.00 0.00 113 F 8.54 4.36 0.00 3.16 3.16 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 0.00 114 K 7.98 3.75 0.00 1.98 1.82 0.00 1.78 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.58 7.81 115 Q 7.94 4.04 0.00 2.27 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 116 A 8.44 4.00 1.48 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 0.00 117 S 7.98 4.00 0.00 3.70 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 0.00 118 E 7.62 3.89 0.00 2.18 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 2.30 2.44 0.00 119 A 7.57 3.91 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 0.00 120 H 7.96 3.77 0.00 2.53 3.10 0.00 5.59 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 0.00 121 N 8.45 4.30 0.00 2.75 2.83 0.00 0.00 6.74 7.25 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 0.00 122 R 8.05 3.83 0.00 1.98 1.97 0.00 3.06 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 123 I 7.96 3.66 1.83 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 1.47 0.74 0.81 0.00 0.00 124 L 8.16 3.80 0.00 1.60 1.60 0.87 0.84 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 0.00 125 A 7.86 3.95 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 0.00 126 E 8.25 3.99 0.00 2.02 2.05 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 2.27 2.32 0.00 127 L 7.84 4.03 0.00 1.74 1.69 0.85 0.77 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 0.00 128 L 7.79 4.60 0.00 1.72 1.64 0.91 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 129 R 7.70 3.88 0.00 1.85 2.22 0.00 3.03 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.57 0.00 130 A 7.82 4.40 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 0.00 131 V 7.52 4.06 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.93 0.00 0.00 132 S 8.45 4.37 0.00 4.02 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 0.00 133 D 8.83 4.49 0.00 2.69 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 0.00 134 Q 8.29 4.10 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 7.13 0.00 0.00 0.00 0.00 0.00 2.52 2.40 0.00 135 D 7.92 4.53 0.00 2.95 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 *137 V 7.91 4.01 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 1.01 0.00 0.00 0.99 0.00 0.00 138 E 8.41 3.98 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 2.33 2.33 0.00 139 A 8.15 4.00 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 0.00 140 S 8.04 4.17 0.00 3.92 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 0.00 141 A 8.11 3.97 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 0.00 142 A 8.14 3.99 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 0.00 143 L 8.42 4.01 0.00 1.81 1.76 0.96 0.95 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 0.00 144 R 8.43 4.06 0.00 1.98 1.99 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 145 G 8.02 3.73 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 0.00 0.00 0.00 146 I 7.44 3.74 2.08 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 1.54 0.80 0.93 0.00 0.00 147 L 7.78 4.14 0.00 1.78 1.74 0.95 0.75 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 0.00 148 E 8.20 4.07 0.00 1.96 2.19 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 2.32 2.35 0.00 149 S 7.95 4.42 0.00 4.07 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 * Residues marked with a * may have inaccurate shift predictions.