NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3729 8.2649 122.4660 51.7562 20.5270 175.8637 3 E 4.3782 8.4831 118.1491 55.7213 31.4759 174.1936 4 T 5.2112 8.7504 118.7162 61.8091 71.9489 172.8618 5 K 4.3662 9.3417 128.8322 54.7872 34.0247 174.8600 6 I 5.0549 8.3462 128.1148 59.5546 39.8625 175.1709 7 V 4.5069 8.7034 126.7537 60.9927 34.9202 174.3085 8 V 5.3508 7.7565 126.2617 60.0348 34.3385 174.5123 9 G 4.1705 8.2420 113.6047 45.4816 0.0000 172.2239 10 P 5.2624 0.0000 0.0000 64.4489 31.7722 177.2908 11 Q 4.1544 7.8393 117.8509 54.8462 29.2499 174.2577 12 P 4.1554 0.0000 0.0000 62.7703 31.9221 175.8443 13 F 4.8999 7.5731 115.9107 55.1480 40.5348 175.3269 14 S 4.6100 8.2517 114.5051 55.9892 64.9619 174.6641 15 V 3.2471 8.5013 128.8266 65.9640 31.1929 178.0895 16 G 3.6892 7.9925 104.0180 47.7091 0.0000 174.8992 17 E 4.2372 7.7178 119.9378 58.8213 29.7810 178.4437 18 E 4.2301 8.0423 118.4490 58.6595 29.5837 178.4485 19 Y 4.0570 8.0688 120.0635 60.2789 38.7170 175.9653 20 P 4.1984 0.0000 0.0000 65.2261 31.7154 178.1902 21 W 4.1040 8.1218 126.6390 60.4328 30.6241 177.3818 22 L 3.7866 7.6848 118.5019 57.7242 41.4343 177.9535 23 A 4.3157 7.0024 117.0879 51.5547 19.1576 177.3062 24 E 3.8651 7.3873 121.5160 59.7701 30.0862 178.0217 25 R 4.0825 7.4887 118.2495 55.5676 30.8348 177.0277 26 D 4.3479 8.8030 123.2223 57.3990 40.9660 177.9086 27 E 4.0405 8.0576 115.2555 58.5313 30.4070 177.2835 28 D 4.5582 7.8785 122.8201 53.1815 39.1490 176.7052 29 G 4.0312 7.8280 104.9600 46.5089 0.0000 171.3858 30 A 4.7573 8.4245 123.4085 49.9671 22.1089 175.2469 31 V 4.5754 8.4793 122.3072 61.2145 34.0779 174.6425 32 V 4.3769 8.8276 128.9257 61.1629 33.6252 174.4672 33 T 5.0613 8.5161 116.7589 59.8003 71.9378 172.7646 34 F 4.9043 8.9967 125.0724 56.7357 42.8732 173.6890 35 T 4.9281 7.5171 121.2360 61.6747 71.3984 173.2766 36 G 4.2116 9.0143 114.2091 44.6597 0.0000 172.7890 37 K 5.2007 8.4070 122.6537 53.8693 35.7169 176.1669 38 V 3.6736 8.3678 122.1769 63.3619 31.6103 176.9272 39 R 4.3614 8.4827 125.2556 57.3663 31.5541 177.0124 *48 N 4.6092 7.5416 114.0353 53.1648 39.0677 176.8193 49 A 3.3380 7.9577 131.8355 50.6470 19.0269 176.0815 50 L 3.8655 7.7913 123.6463 56.4508 43.5009 175.8023 51 T 4.9091 8.4775 122.6412 61.8786 71.0622 172.9087 52 L 4.9475 8.5025 127.0565 53.1938 44.0574 175.7731 53 E 4.9598 8.4691 122.3806 54.7738 33.6161 174.1406 54 H 4.5211 7.8200 115.1207 54.2651 32.4752 172.6149 55 Y 4.6088 8.3761 119.3596 55.0104 37.8109 172.1274 56 P 4.3893 0.0000 0.0000 64.3812 32.0781 175.8452 57 G 4.3592 9.0890 119.1256 46.4295 0.0000 175.6800 58 M 3.8803 7.4399 119.8592 57.5477 31.7788 178.9465 59 T 3.8421 7.9825 110.1710 64.5391 69.0426 176.7223 60 E 3.9622 8.0925 120.9675 59.1039 29.5709 179.0157 61 K 3.8930 8.0745 119.3769 59.4493 32.2109 178.7289 62 A 4.0118 8.0712 121.0971 55.0551 18.2880 179.5404 63 L 3.9770 8.3814 117.7486 57.9899 41.7126 179.6065 64 A 4.0551 8.2060 120.6660 55.2353 18.3055 179.6134 65 E 3.9499 8.2718 117.0889 59.6514 29.5526 179.6451 66 I 3.7923 8.0086 119.9795 64.2906 37.0627 178.7271 67 V 3.7209 7.9683 119.3342 65.9277 31.4952 177.6280 68 D 4.3140 8.1932 117.9682 57.2636 40.6043 177.7917 69 E 3.8780 8.4073 119.6520 59.1791 29.6598 178.5403 70 A 4.0112 8.1055 120.8160 55.4587 18.2698 179.9140 71 R 4.1260 8.0061 115.3287 59.3015 30.1369 178.7634 72 N 4.3920 7.7848 115.3678 55.5765 38.5205 176.7263 73 R 3.7990 6.9615 116.8079 55.5703 31.1103 176.6987 74 W 5.0583 7.4283 116.7476 53.9343 32.8993 173.8302 75 P 4.5114 0.0000 0.0000 62.4101 29.6777 175.4171 76 L 5.0052 8.2031 124.3369 53.5165 45.1016 178.5017 77 G 4.5307 7.6625 106.9168 45.4543 0.0000 177.2024 78 R 4.4661 8.8791 124.5344 56.0602 31.1330 174.5424 79 V 4.8012 8.6813 120.5960 61.7627 35.7398 173.9382 80 T 5.2340 9.1136 123.3061 61.8244 72.3013 172.9235 81 V 4.8172 9.0849 126.3812 61.1301 34.5877 174.1973 82 I 5.2176 8.8800 128.2650 59.7989 41.1977 173.9693 83 H 5.1733 9.0934 125.3884 54.5261 33.0989 172.6080 84 R 5.6542 9.2172 124.8020 54.9143 31.8186 175.2873 85 I 4.4872 7.9673 113.8955 59.9345 41.9869 174.5451 86 G 3.9672 8.7104 108.3771 44.2493 0.0000 171.5435 87 E 4.4853 8.4590 120.3152 56.3584 29.9061 177.6326 88 L 5.0067 8.6095 125.5468 53.1220 46.7310 175.1151 89 W 4.8497 9.3493 121.9386 53.5235 33.2992 173.1861 90 P 4.3320 0.0000 0.0000 64.9885 30.6411 176.8103 91 G 3.9705 8.5611 110.1923 45.3287 0.0000 173.4082 92 D 4.3780 8.0185 120.9965 54.0128 41.3567 175.3782 93 E 4.6464 8.4976 123.9884 55.9610 29.9779 176.0704 94 I 4.5507 8.9094 118.3365 60.9718 40.4714 175.9693 95 V 4.9545 7.8270 121.6138 59.7453 34.9497 174.2047 96 F 5.2628 9.1274 125.9113 56.3625 42.4179 173.4218 97 V 4.4486 8.5447 126.0987 60.8176 34.4183 174.1932 98 G 4.1284 9.0281 115.0771 44.2444 0.0000 171.7291 99 V 4.8774 8.8253 125.2314 61.1656 35.1576 174.3185 100 T 5.1235 8.0353 116.4369 60.4501 72.3673 172.3859 101 S 4.8886 8.5326 115.7972 57.7766 66.2451 175.2244 102 A 4.0644 8.6382 124.0729 53.4652 18.8147 177.6976 103 H 4.9268 7.8608 113.6740 52.9609 32.2004 173.9770 104 R 3.9178 8.7708 126.1450 59.8402 29.9700 178.7568 105 S 4.2694 8.1779 113.2745 61.4189 62.9985 176.4129 106 S 3.9959 8.1073 118.1237 61.4548 62.6712 176.3563 107 A 3.8407 7.7373 122.9207 54.9660 18.0912 179.7129 108 F 4.0516 8.1549 116.3634 60.7710 38.9970 177.8165 109 E 3.7620 8.2415 118.1625 59.1922 29.1337 179.3168 110 A 3.1468 7.0172 120.8289 54.5714 18.3526 179.8568 111 G 3.4945 7.9696 104.3295 48.2005 0.0000 176.0185 112 Q 3.9917 8.0512 120.5707 58.3221 28.7754 178.6281 113 F 4.3025 8.1010 122.0103 61.2064 39.5635 177.4579 114 I 3.7096 8.1340 119.5725 64.6069 37.0381 178.3112 115 M 3.9733 7.9734 119.4340 58.4622 31.6453 178.3880 116 D 4.3084 8.1300 118.9714 57.8755 41.1669 178.7241 117 Y 3.7796 7.9222 116.0739 60.1093 37.5995 177.4067 118 L 4.3525 7.6898 119.8278 56.3574 42.4390 177.5841 119 K 4.4917 7.7486 116.2586 56.7786 33.0693 176.7587 120 T 4.5538 7.6321 107.3742 61.2064 70.6370 175.1070 121 R 4.4572 7.7808 118.0648 56.3347 32.6477 176.1745 122 A 4.2587 8.0114 119.6536 51.6627 19.4320 175.8606 123 P 4.9294 0.0000 0.0000 61.4525 30.3199 174.1298 124 F 5.1959 8.2399 124.4410 56.3403 42.7998 174.0235 125 W 5.3055 8.0059 117.5834 55.3409 32.0233 173.5176 126 K 4.6676 8.7388 120.0511 55.6337 32.6751 177.2684 127 R 4.3087 8.6177 123.8661 56.7557 29.6259 176.0963 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 A 8.26 4.37 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 3 E 8.48 4.38 0.00 2.30 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 0.00 2.50 2.51 0.00 4 T 8.75 5.21 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 1.27 0.00 0.00 5 K 9.34 4.37 0.00 1.09 1.47 0.00 0.86 0.00 0.00 1.16 0.00 0.00 2.71 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.18 1.13 7.81 6 I 8.35 5.05 1.88 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 1.25 1.10 0.95 0.00 0.00 7 V 8.70 4.51 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 0.95 0.00 0.00 0.88 0.00 0.00 8 V 7.76 5.35 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 1.25 0.00 0.00 1.07 0.00 0.00 9 G 8.24 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 0.00 0.00 0.00 0.00 10 P 0.00 5.26 0.00 2.20 2.21 0.00 3.40 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 11 Q 7.84 4.15 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.97 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 12 P 0.00 4.16 0.00 1.95 1.84 0.00 3.62 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 1.98 2.02 0.00 13 F 7.57 4.90 0.00 2.95 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.25 4.61 0.00 3.83 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.50 3.25 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 1.02 0.00 0.00 0.87 0.00 0.00 16 G 7.99 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 E 7.72 4.24 0.00 2.06 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 0.00 2.35 2.35 0.00 18 E 8.04 4.23 0.00 1.64 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 0.00 2.40 2.09 0.00 19 Y 8.07 4.06 0.00 3.29 3.04 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 0.00 0.00 0.00 0.00 20 P 0.00 4.20 0.00 2.14 2.18 0.00 4.04 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 2.13 2.34 0.00 21 W 8.12 4.10 0.00 3.41 3.37 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 22 L 7.68 3.79 0.00 1.82 1.79 1.06 1.58 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 23 A 7.00 4.32 0.67 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 24 E 7.39 3.87 0.00 1.88 1.67 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 2.21 2.20 0.00 25 R 7.49 4.08 0.00 1.93 1.91 0.00 3.08 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.38 0.00 26 D 8.80 4.35 0.00 2.60 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 27 E 8.06 4.04 0.00 2.03 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 2.20 2.22 0.00 28 D 7.88 4.56 0.00 2.77 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 29 G 7.83 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 30 A 8.42 4.76 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 31 V 8.48 4.58 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 0.86 0.00 0.00 0.86 0.00 0.00 32 V 8.83 4.38 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 -0.17 0.00 0.00 33 T 8.52 5.06 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 1.48 0.00 0.00 34 F 9.00 4.90 0.00 3.14 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 35 T 7.52 4.93 4.14 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 1.42 0.00 0.00 36 G 9.01 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 0.00 0.00 0.00 0.00 37 K 8.41 5.20 0.00 1.61 1.70 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.37 7.81 38 V 8.37 3.67 2.22 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 0.95 0.00 0.00 0.91 0.00 0.00 39 R 8.48 4.36 0.00 1.86 1.97 0.00 3.49 0.00 0.00 3.39 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 *48 N 7.54 4.61 0.00 2.65 2.34 0.00 0.00 6.88 7.35 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 49 A 7.96 3.34 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.79 3.87 0.00 1.67 1.56 0.89 0.64 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 51 T 8.48 4.91 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 1.17 0.00 0.00 52 L 8.50 4.95 0.00 1.56 1.52 0.89 0.72 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 53 E 8.47 4.96 0.00 1.16 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.07 0.00 54 H 7.82 4.52 0.00 2.74 3.06 0.00 5.11 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.38 4.61 0.00 3.20 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 56 P 0.00 4.39 0.00 2.15 2.05 0.00 3.87 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 2.06 2.02 0.00 57 G 9.09 4.36 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 0.00 58 M 7.44 3.88 0.00 1.46 0.95 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.62 0.00 59 T 7.98 3.84 3.81 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 1.17 0.00 0.00 60 E 8.09 3.96 0.00 2.23 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 2.42 2.47 0.00 61 K 8.07 3.89 0.00 1.88 1.90 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.44 7.81 62 A 8.07 4.01 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 63 L 8.38 3.98 0.00 1.86 1.80 1.10 0.91 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 64 A 8.21 4.06 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.27 3.95 0.00 2.22 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 2.34 2.50 0.00 66 I 8.01 3.79 1.92 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 1.38 0.69 0.88 0.00 0.00 67 V 7.97 3.72 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 1.13 0.00 0.00 1.03 0.00 0.00 68 D 8.19 4.31 0.00 3.02 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 69 E 8.41 3.88 0.00 2.17 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 0.00 2.41 2.35 0.00 70 A 8.11 4.01 1.62 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 71 R 8.01 4.13 0.00 1.96 2.02 0.00 3.20 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 72 N 7.78 4.39 0.00 2.77 2.74 0.00 0.00 6.95 6.94 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 73 R 6.96 3.80 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.46 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.18 0.00 74 W 7.43 5.06 0.00 3.36 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 P 0.00 4.51 0.00 2.24 2.15 0.00 3.95 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 2.10 2.05 0.00 76 L 8.20 5.01 0.00 1.67 1.62 1.03 1.00 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 77 G 7.66 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 R 8.88 4.47 0.00 1.57 1.36 0.00 2.21 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.32 0.00 79 V 8.68 4.80 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 1.11 0.00 0.00 1.01 0.00 0.00 80 T 9.11 5.23 4.46 0.00 0.00 0.00 0.00 0.00 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 81 V 9.08 4.82 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 1.04 0.00 0.00 0.95 0.00 0.00 82 I 8.88 5.22 1.56 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.69 0.92 0.00 0.00 83 H 9.09 5.17 0.00 3.11 2.98 0.00 5.57 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.22 5.65 0.00 1.79 1.85 0.00 2.92 0.00 0.00 3.18 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 85 I 7.97 4.49 2.00 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 1.22 0.78 0.97 0.00 0.00 86 G 8.71 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 87 E 8.46 4.49 0.00 2.01 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 2.07 2.23 0.00 88 L 8.61 5.01 0.00 1.48 1.43 0.88 0.60 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 89 W 9.35 4.85 0.00 3.26 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 90 P 0.00 4.33 0.00 2.24 2.17 0.00 4.18 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 2.19 2.14 0.00 91 G 8.56 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 92 D 8.02 4.38 0.00 2.88 2.57 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 93 E 8.50 4.65 0.00 1.47 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 0.00 2.25 2.18 0.00 94 I 8.91 4.55 1.78 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 1.28 1.34 0.94 0.00 0.00 95 V 7.83 4.95 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 0.96 0.00 0.00 1.04 0.00 0.00 96 F 9.13 5.26 0.00 2.16 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 0.00 0.00 0.00 0.00 97 V 8.54 4.45 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 0.90 0.00 0.00 0.92 0.00 0.00 98 G 9.03 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 99 V 8.83 4.88 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 0.84 0.00 0.00 0.85 0.00 0.00 100 T 8.04 5.12 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 1.14 0.00 0.00 101 S 8.53 4.89 0.00 3.86 3.81 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 0.00 102 A 8.64 4.06 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 0.00 103 H 7.86 4.93 0.00 3.22 3.21 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 R 8.77 3.92 0.00 1.96 2.08 0.00 3.34 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.85 0.00 105 S 8.18 4.27 0.00 4.15 4.18 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 0.00 106 S 8.11 4.00 0.00 4.07 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.74 3.84 1.11 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 0.00 0.00 108 F 8.15 4.05 0.00 3.20 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 0.00 109 E 8.24 3.76 0.00 1.16 1.50 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 2.47 2.54 0.00 110 A 7.02 3.15 1.10 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 0.00 0.00 0.00 111 G 7.97 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 8.05 3.99 0.00 2.33 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 113 F 8.10 4.30 0.00 3.36 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 0.00 114 I 8.13 3.71 2.03 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 1.69 1.26 0.94 0.00 0.00 115 M 7.97 3.97 0.00 1.73 1.87 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.63 0.00 116 D 8.13 4.31 0.00 2.84 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 0.00 117 Y 7.92 3.78 0.00 2.87 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 0.00 118 L 7.69 4.35 0.00 1.97 1.91 1.16 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 119 K 7.75 4.49 0.00 1.76 1.83 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.53 7.81 120 T 7.63 4.55 4.15 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 1.15 0.00 0.00 121 R 7.78 4.46 0.00 2.06 2.01 0.00 3.20 0.00 0.00 3.19 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.25 0.00 122 A 8.01 4.26 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 0.00 123 P 0.00 4.93 0.00 2.41 2.37 0.00 3.42 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 124 F 8.24 5.20 0.00 2.89 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 0.00 125 W 8.01 5.31 0.00 3.44 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 0.00 126 K 8.74 4.67 0.00 1.75 1.81 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.71 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.50 7.81 127 R 8.62 4.31 0.00 1.85 1.83 0.00 3.43 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 * Residues marked with a * may have inaccurate shift predictions.