NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 3.8954 8.1727 120.0261 56.1213 33.5272 173.7239 3 L 4.8140 8.2293 127.6817 52.7128 43.6904 173.8546 4 I 4.8927 9.6829 126.7811 59.3245 42.1044 173.2103 5 I 5.0255 8.6410 129.4450 59.5671 39.6906 174.4283 6 L 5.1992 8.9410 126.9522 52.6449 44.5269 175.9828 7 D 4.9593 9.0274 123.3947 54.3996 41.7937 174.5048 8 R 4.2951 8.7715 120.5555 57.6253 31.3144 175.4344 9 D 4.5180 7.8832 118.2287 55.9747 41.5529 177.3868 10 G 3.9647 9.4338 112.9590 45.4430 0.0000 173.2113 11 V 4.1590 7.5105 115.5573 64.4242 33.8219 176.5602 12 V 3.8532 8.3503 119.4242 64.6957 31.9891 175.0043 13 N 5.1223 7.4833 114.9521 50.1460 40.9478 173.3211 14 Q 4.3494 8.4400 119.4528 55.9209 29.2781 176.7907 15 D 4.6363 8.6254 122.9014 53.4269 41.5947 175.1487 16 S 4.8109 8.2239 112.8675 56.4357 65.3674 174.7109 17 D 4.2372 8.9188 126.8708 56.7815 40.7421 176.9688 18 A 4.5804 7.8203 120.0385 51.2638 19.1751 175.9109 19 F 3.9260 7.4884 116.9499 57.7956 38.9852 175.3634 20 V 4.1200 8.4522 122.4302 62.1039 30.8750 175.7107 21 K 4.3164 8.8368 126.4322 55.9083 33.2878 176.1915 22 S 4.5009 7.3457 112.2546 56.5977 65.5448 173.9637 23 P 4.2893 0.0000 0.0000 65.9108 31.1987 178.7886 24 D 4.4528 7.5512 116.7188 57.1137 40.7421 177.2348 25 E 4.1777 7.9866 116.4931 56.5764 29.8809 176.0766 26 W 4.3931 8.0203 130.1086 56.2059 30.9120 175.2761 27 I 4.4413 7.3595 126.1031 58.8938 40.1744 174.9572 28 A 3.8810 8.1468 129.0894 51.6929 19.1309 177.0646 29 L 4.1003 8.3896 121.6221 53.5193 43.2260 175.2172 30 P 4.3272 0.0000 0.0000 64.4671 31.7850 177.2132 31 G 4.0029 8.9564 110.8648 46.2745 0.0000 175.5716 32 S 4.0840 8.0944 116.4680 61.6640 62.8050 176.4908 33 L 4.0683 7.8218 121.2567 57.7783 41.3904 179.1686 34 Q 3.9747 8.0780 118.9339 58.8738 29.0336 177.9133 35 A 3.9134 7.9742 121.9593 55.2418 18.3493 179.6740 36 I 3.5960 7.7925 118.0995 64.3361 37.0439 178.5663 37 A 3.9816 8.0434 121.6482 55.1766 18.3236 179.8033 38 R 3.8513 8.2898 116.9573 59.5159 30.0823 179.3436 39 L 3.8873 7.9259 118.6124 57.9908 41.5446 179.6921 40 T 4.1018 8.2271 115.9772 66.9246 68.2059 176.7832 41 Q 4.1433 8.3684 118.6534 58.0733 28.6601 177.4768 42 A 4.6068 7.5348 119.7518 51.3722 19.2682 176.4478 43 D 4.4714 7.9493 117.3168 56.3610 38.7563 174.2463 44 W 4.5809 8.5362 118.3878 56.6087 30.5216 176.2698 45 T 4.4789 9.0058 120.5375 62.3201 69.8923 173.7932 46 V 4.7306 8.4111 126.7927 61.1497 33.9222 174.3770 47 V 4.9747 8.6570 127.3875 61.1587 34.9163 174.2328 48 L 5.1491 8.8466 126.6891 53.6940 44.2346 175.6932 49 A 5.1300 8.9972 123.4237 50.6019 21.8622 174.9968 50 T 4.9095 8.7590 116.6164 60.7557 70.6284 173.2407 51 N 4.6297 9.0332 126.4181 52.7192 39.4311 175.7779 52 Q 4.8360 9.1578 123.5959 54.2601 29.3946 176.6340 53 S 4.6396 7.5181 115.0280 59.6625 63.6020 176.2258 54 G 3.1918 8.1916 109.8476 47.6723 0.0000 175.5312 55 L 3.6048 7.3875 120.4421 57.6569 41.4811 179.4128 56 A 3.9571 7.3308 118.9154 54.9747 18.3873 179.0799 57 R 4.1022 7.7656 114.0203 55.9010 30.3617 177.0477 58 G 3.7881 7.4424 106.7609 46.4815 0.0000 175.2915 59 L 4.0879 7.6308 122.3750 56.6567 41.8877 176.9682 60 F 4.7493 6.9109 110.7846 54.9834 40.2239 172.8524 61 D 4.9117 8.3105 121.5094 51.9872 42.8855 177.1698 62 T 3.9464 8.3154 114.8444 66.6830 68.3085 176.6696 63 A 3.9951 8.0101 122.3369 55.4748 18.3669 179.7011 64 T 3.8066 8.4301 114.3307 66.5804 68.4962 176.7676 65 L 3.6647 8.0250 122.3738 57.9697 42.0212 178.3874 66 N 4.2014 8.4890 117.1700 56.7828 38.8639 176.6993 67 A 3.9006 7.9891 122.0182 54.9390 18.1813 179.6257 68 I 3.3713 7.4762 117.6367 64.9566 37.2826 178.1357 69 H 4.0355 7.7110 115.3749 58.7737 28.6361 177.3530 70 D 4.5166 8.2555 121.1582 56.8828 40.5571 178.7703 71 K 3.8283 7.5251 116.7195 57.8199 32.1501 177.7519 *73 H 4.7408 8.0944 116.3701 55.6339 30.7639 175.9677 74 R 3.9103 8.3103 118.3203 59.1339 29.6043 178.9008 75 A 4.0455 7.8149 119.4082 55.2604 18.6647 179.3952 76 L 4.1039 7.9362 116.7686 57.8778 41.5600 179.3922 77 A 4.0898 7.8855 119.8216 54.9790 18.2565 180.1182 78 Q 4.1817 7.5409 113.4873 56.5802 28.6536 177.4494 *80 G 3.8589 7.9083 106.7883 44.9939 0.0000 173.6573 81 G 4.0270 8.0558 108.4182 44.3518 0.0000 174.1505 82 V 4.3683 8.1266 120.2162 60.8643 34.6938 174.7294 83 V 4.3167 8.3059 126.4496 61.4262 32.1316 174.9986 84 D 4.6688 9.2375 128.6439 57.3164 41.8364 175.9290 85 A 4.6891 7.8197 117.1784 50.9216 22.8357 175.2468 86 I 4.8077 8.1922 120.0032 59.7134 39.9046 175.4045 87 F 4.4442 9.4228 126.2915 55.8518 42.2313 174.6068 *89 C 4.6852 8.3338 119.8380 59.0241 32.4907 171.8447 90 P 4.8950 0.0000 0.0000 63.2601 32.1506 175.5610 91 H 4.7955 7.9597 118.4016 55.3102 30.1083 174.8063 92 G 3.9380 9.3891 111.2478 43.5817 0.0000 173.3714 93 P 4.2989 0.0000 0.0000 65.1652 31.1630 176.9556 94 D 4.8343 7.9310 115.9826 54.1347 41.0779 176.6781 95 D 4.4192 8.0454 119.9457 54.8589 41.0734 177.0930 96 G 3.8538 8.1840 106.5737 46.3734 0.0000 173.5218 97 C 4.2876 8.0093 113.7998 57.6989 30.4464 172.8900 98 A 4.5777 8.4241 120.6388 52.1976 19.2098 177.6230 99 C 4.5936 7.8250 109.3981 57.7856 31.1890 173.8792 100 R 4.3264 7.8591 122.5228 55.4891 29.9957 175.6270 101 K 4.6524 8.9070 125.2852 55.8017 32.6456 175.2295 102 P 4.7981 0.0000 0.0000 62.9645 31.8021 176.1366 103 L 4.2536 7.8395 120.6207 54.7851 42.0814 175.7552 104 P 4.8194 0.0000 0.0000 62.9770 31.9036 177.6020 105 G 4.2266 8.1039 107.2494 46.6026 0.0000 174.7592 *107 Y 4.2431 7.9475 119.1601 57.7240 40.0399 177.7949 108 R 4.0012 8.4226 118.9927 59.3736 30.0212 178.8718 109 D 4.4294 8.3495 118.8678 57.2355 40.7690 178.9050 110 I 3.1361 7.2041 119.6340 64.0777 37.1373 177.9557 111 A 4.0440 7.9950 121.6133 55.3369 17.7381 179.7424 112 R 3.8575 8.0583 117.0922 59.4785 29.9633 178.7244 113 R 3.8364 8.0206 117.5802 59.2734 30.2561 177.3405 114 Y 4.2546 7.9358 113.3779 56.8495 39.4385 174.6136 115 D 4.4371 7.6052 118.4124 55.6257 40.0045 172.7186 116 V 4.5581 7.7542 110.7048 59.3175 35.8479 175.5645 117 D 4.5619 8.4928 121.5394 53.9953 41.6994 176.4172 118 L 4.2160 8.5554 125.0641 55.3747 42.2492 176.5940 119 A 4.3323 7.5187 122.6511 53.0962 18.4623 178.2495 120 G 4.0145 8.9981 111.3774 45.2309 0.0000 173.5695 121 V 3.9709 7.8898 121.7328 61.9835 32.6825 173.5031 122 P 5.1174 0.0000 0.0000 62.9145 32.6720 174.9355 123 A 5.2275 9.2546 125.4619 50.2397 21.7532 174.6958 124 V 4.7740 9.0149 123.7939 62.0122 33.5069 175.2394 125 G 4.7521 9.3594 114.2740 45.0083 0.0000 172.4422 126 D 5.0329 9.0594 117.3025 52.8093 41.2437 175.9903 127 S 4.8717 8.1779 115.5591 55.0272 66.3924 174.6442 128 L 3.9738 8.5768 124.0801 58.4734 41.7321 179.5824 129 R 3.9443 8.0339 115.4511 59.3483 29.2064 178.4968 130 D 4.4053 8.0850 119.3684 57.2909 40.7773 178.7101 131 L 3.9784 7.8160 118.9720 57.8059 41.6579 179.4963 132 Q 3.9025 8.2785 117.8686 58.7491 28.8088 178.4177 133 A 4.2700 8.2623 122.9056 54.5479 18.3751 179.6108 134 A 2.9776 7.3999 118.8408 54.8893 18.5408 179.7019 135 A 4.0197 8.1036 119.7108 55.4186 18.2215 179.6872 136 Q 3.9046 8.0151 116.8983 59.0622 29.2001 177.8250 137 A 4.2570 7.6247 120.1037 52.6512 18.3836 177.9401 138 G 4.0243 7.6785 104.4948 45.2896 0.0000 173.6640 139 C 4.6270 8.0627 117.4823 59.2518 29.7675 173.0734 140 A 4.5441 8.9196 122.6862 50.3098 19.6910 175.1987 141 P 5.0439 0.0000 0.0000 62.8318 33.0877 175.7412 142 W 5.2313 9.5045 123.3822 54.7782 32.7785 173.9257 143 L 5.1363 9.4601 127.2101 53.5568 43.8146 176.1855 144 V 5.1791 8.5034 119.4403 60.1790 33.6262 176.5666 145 Q 4.5729 8.4535 120.1043 56.3877 29.5329 176.4864 146 T 4.1689 7.9251 110.4238 61.2526 70.9008 176.8011 147 G 4.1348 7.9764 111.6535 47.3302 0.0000 174.3518 148 N 4.6909 9.9846 123.4650 53.2745 38.5564 177.0174 149 G 4.0075 8.3208 109.5138 47.2631 0.0000 176.2212 150 R 3.8885 7.9101 120.5946 59.1125 30.1772 178.5807 151 K 3.9592 7.9749 117.7559 59.7957 31.8188 179.2192 152 T 3.8365 8.0559 116.0145 66.4800 68.4443 176.4048 153 L 3.9303 8.2388 122.2210 58.2287 41.9527 178.8421 154 A 4.0200 7.8002 119.2287 55.2383 18.3677 179.1347 155 Q 4.1160 8.1029 115.0707 58.0220 29.4564 178.1158 156 G 3.7010 8.5199 108.0003 46.4422 0.0000 174.2545 157 G 3.8927 8.7809 109.8585 46.5366 0.0000 173.9069 158 L 4.2360 7.7687 118.1457 52.9940 42.7741 175.3781 159 P 4.2980 0.0000 0.0000 62.6483 31.8682 176.0066 160 E 4.0740 8.5457 121.2580 58.0305 29.7502 177.6216 161 G 3.8285 8.8347 110.6410 45.6716 0.0000 173.4144 162 T 3.9478 7.3938 116.0597 64.1329 68.8963 174.3091 163 R 3.9551 8.2359 125.2047 55.5925 31.6387 175.5778 164 V 4.8276 8.0717 121.7184 61.4542 33.9758 174.3207 165 C 5.0018 9.1638 124.4880 57.9578 32.5506 175.0816 166 E 4.1229 8.9147 120.2478 59.5391 30.4152 176.5361 167 D 4.6638 7.6414 116.3692 51.0845 42.2336 175.4427 168 L 3.8794 8.5129 119.3464 58.1823 41.8601 178.3917 169 A 3.8905 8.0066 120.1413 55.2290 18.2643 179.3446 170 A 3.9577 8.4391 119.2057 54.9800 18.3886 180.0223 171 V 3.4180 7.6942 116.6634 66.1582 31.6299 178.1081 172 A 3.5998 7.9459 120.6117 54.9293 18.1173 179.1967 173 E 3.8256 8.0208 117.7057 59.4814 29.7459 179.0151 174 Q 4.0621 8.1696 118.0697 59.2073 27.7220 179.0433 175 L 4.0702 7.9154 119.8504 57.3737 41.3408 179.1127 176 L 4.4153 7.8141 117.8544 56.3818 41.9073 178.4138 177 Q 4.3082 8.0955 116.8300 58.0747 29.0693 176.8936 178 E 4.4304 7.9869 118.1974 56.2598 29.6676 176.2470 179 A 4.2732 7.3935 125.4357 52.4792 18.6232 177.7956 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 2 K 8.17 3.90 0.00 0.79 0.74 0.00 0.61 0.00 0.00 1.37 0.00 0.00 2.42 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.79 0.96 7.81 3 L 8.23 4.81 0.00 1.55 1.48 0.61 0.59 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 4 I 9.68 4.89 1.91 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.31 0.91 0.00 0.00 5 I 8.64 5.03 2.03 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.62 0.91 0.00 0.00 6 L 8.94 5.20 0.00 1.53 1.55 0.90 0.76 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 7 D 9.03 4.96 0.00 2.76 2.63 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 8 R 8.77 4.30 0.00 1.98 1.88 0.00 3.52 0.00 0.00 3.54 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.80 0.00 9 D 7.88 4.52 0.00 2.76 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 10 G 9.43 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 11 V 7.51 4.16 2.31 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 0.84 0.00 0.00 0.96 0.00 0.00 12 V 8.35 3.85 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 1.14 0.00 0.00 1.02 0.00 0.00 13 N 7.48 5.12 0.00 1.87 1.49 0.00 0.00 6.19 7.44 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 14 Q 8.44 4.35 0.00 1.76 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 15 D 8.63 4.64 0.00 2.67 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 16 S 8.22 4.81 0.00 3.80 3.68 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 17 D 8.92 4.24 0.00 2.68 2.69 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 18 A 7.82 4.58 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 19 F 7.49 3.93 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 20 V 8.45 4.12 2.18 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 0.98 0.00 0.00 1.03 0.00 0.00 21 K 8.84 4.32 0.00 1.91 1.97 0.00 1.92 0.00 0.00 2.03 0.00 0.00 3.16 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.69 1.63 7.81 22 S 7.35 4.50 0.00 3.93 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 23 P 0.00 4.29 0.00 2.19 2.11 0.00 3.57 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 24 D 7.55 4.45 0.00 2.61 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 25 E 7.99 4.18 0.00 2.13 2.03 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 2.35 2.27 0.00 26 W 8.02 4.39 0.00 3.21 3.25 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 27 I 7.36 4.44 1.67 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.44 0.84 0.00 0.00 28 A 8.15 3.88 1.07 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 29 L 8.39 4.10 0.00 1.53 1.52 0.93 0.79 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 30 P 0.00 4.33 0.00 2.00 1.99 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.06 0.00 31 G 8.96 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 32 S 8.09 4.08 0.00 4.02 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 33 L 7.82 4.07 0.00 1.72 1.77 1.09 1.01 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 34 Q 8.08 3.97 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 35 A 7.97 3.91 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 36 I 7.79 3.60 2.01 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.78 0.92 0.00 0.00 37 A 8.04 3.98 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 38 R 8.29 3.85 0.00 1.92 1.95 0.00 3.10 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.87 0.00 39 L 7.93 3.89 0.00 1.69 1.48 0.53 -0.44 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 40 T 8.23 4.10 4.41 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 1.30 0.00 0.00 41 Q 8.37 4.14 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.29 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 42 A 7.53 4.61 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.95 4.47 0.00 2.84 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 44 W 8.54 4.58 0.00 3.12 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 45 T 9.01 4.48 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 46 V 8.41 4.73 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 0.94 0.00 0.00 0.95 0.00 0.00 47 V 8.66 4.97 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 1.08 0.00 0.00 0.94 0.00 0.00 48 L 8.85 5.15 0.00 1.69 1.60 0.91 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.00 5.13 0.80 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 0.00 0.00 50 T 8.76 4.91 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 1.37 0.00 0.00 51 N 9.03 4.63 0.00 2.73 2.85 0.00 0.00 6.84 7.69 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 52 Q 9.16 4.84 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 53 S 7.52 4.64 0.00 4.10 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 0.00 54 G 8.19 3.19 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 55 L 7.39 3.60 0.00 1.84 1.58 0.94 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.33 3.96 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 57 R 7.77 4.10 0.00 1.44 1.75 0.00 2.69 0.00 0.00 2.89 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 58 G 7.44 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 59 L 7.63 4.09 0.00 1.36 1.74 0.11 0.53 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 60 F 6.91 4.75 0.00 3.05 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 61 D 8.31 4.91 0.00 2.96 2.85 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 62 T 8.32 3.95 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 1.22 0.00 0.00 63 A 8.01 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 64 T 8.43 3.81 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 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1.96 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 75 A 7.81 4.05 1.47 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 76 L 7.94 4.10 0.00 1.90 1.84 0.96 0.78 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 77 A 7.89 4.09 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 78 Q 7.54 4.18 0.00 2.16 2.15 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 2.41 2.63 0.00 *80 G 7.91 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 81 G 8.06 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 0.00 0.00 0.00 82 V 8.13 4.37 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 0.80 0.00 0.00 0.95 0.00 0.00 83 V 8.31 4.32 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 127 S 8.18 4.87 0.00 3.98 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.58 3.97 0.00 1.75 1.67 0.91 0.82 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 0.00 129 R 8.03 3.94 0.00 2.20 2.21 0.00 3.27 0.00 0.00 3.37 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.78 0.00 130 D 8.09 4.41 0.00 2.93 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 0.00 131 L 7.82 3.98 0.00 1.77 1.69 0.92 1.02 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 0.00 132 Q 8.28 3.90 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 133 A 8.26 4.27 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 0.00 134 A 7.40 2.98 1.01 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 0.00 135 A 8.10 4.02 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 0.00 136 Q 8.02 3.90 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 137 A 7.62 4.26 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 0.00 138 G 7.68 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 0.00 139 C 8.06 4.63 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 0.00 140 A 8.92 4.54 1.45 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 0.00 0.00 0.00 141 P 0.00 5.04 0.00 2.07 1.97 0.00 3.50 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 142 W 9.50 5.23 0.00 3.15 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 9.46 5.14 0.00 1.73 1.64 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.50 5.18 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 1.05 0.00 0.00 1.00 0.00 0.00 145 Q 8.45 4.57 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.94 0.00 0.00 0.00 0.00 0.00 2.54 2.44 0.00 146 T 7.93 4.17 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 147 G 7.98 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 9.98 4.69 0.00 2.95 2.83 0.00 0.00 7.27 7.38 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 0.00 149 G 8.32 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 0.00 150 R 7.91 3.89 0.00 1.92 1.93 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 1.69 1.77 0.00 151 K 7.97 3.96 0.00 2.04 1.83 0.00 1.71 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.52 1.52 7.81 152 T 8.06 3.84 4.40 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 1.23 0.00 0.00 153 L 8.24 3.93 0.00 1.93 1.80 0.90 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.80 4.02 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 0.00 155 Q 8.10 4.12 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.90 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 156 G 8.52 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 G 8.78 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 L 7.77 4.24 0.00 1.62 1.58 0.89 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.30 0.00 2.13 1.95 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 160 E 8.55 4.07 0.00 1.92 1.87 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 2.29 2.24 0.00 161 G 8.83 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 0.00 162 T 7.39 3.95 4.17 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 1.19 0.00 0.00 163 R 8.24 3.96 0.00 0.67 0.92 0.00 2.71 0.00 0.00 2.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.94 0.00 164 V 8.07 4.83 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.88 0.00 0.00 165 C 9.16 5.00 0.00 2.99 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 0.00 166 E 8.91 4.12 0.00 1.90 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 2.41 2.26 0.00 167 D 7.64 4.66 0.00 2.83 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 0.00 168 L 8.51 3.88 0.00 1.74 1.66 0.80 0.92 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 0.00 169 A 8.01 3.89 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 0.00 170 A 8.44 3.96 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 0.00 171 V 7.69 3.42 2.03 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 0.21 0.00 0.00 1.07 0.00 0.00 172 A 7.95 3.60 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 0.00 173 E 8.02 3.83 0.00 2.09 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 0.00 2.30 2.40 0.00 174 Q 8.17 4.06 0.00 2.39 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.71 2.82 0.00 175 L 7.92 4.07 0.00 1.23 1.43 -0.05 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.81 4.42 0.00 1.64 1.73 0.83 0.82 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 0.00 177 Q 8.10 4.31 0.00 2.23 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.15 0.00 0.00 0.00 0.00 0.00 2.65 2.43 0.00 178 E 7.99 4.43 0.00 2.20 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 0.00 2.39 2.45 0.00 179 A 7.39 4.27 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 * Residues marked with a * may have inaccurate shift predictions.