NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 H 4.7079 8.4444 120.3921 55.8192 30.8754 172.7209 -2 H 3.9929 9.0318 127.2184 57.5019 30.8291 173.2473 -1 H 4.0216 8.7804 122.4895 56.5379 26.7651 172.0412 0 H 4.6158 7.3385 116.4199 54.7636 33.4132 171.8845 -1 Q 3.6316 8.6804 124.0895 57.2379 27.1651 173.9412 0 A 4.2058 7.1585 122.0199 52.2636 23.5132 175.5845 4 R 4.7735 9.2295 122.0912 53.8439 32.8134 175.5226 5 W 3.5483 8.9741 134.8335 56.7628 31.1343 175.5495 6 I 3.8795 7.5493 119.4005 60.2913 37.4857 174.7087 7 G 3.1251 6.6054 106.5404 44.8217 0.0000 174.6534 8 N 4.2083 8.8450 118.9558 54.9503 37.9627 174.9683 *11 F 4.7937 7.4740 114.0723 57.5868 41.0254 173.3639 12 H 5.3380 9.3958 121.8358 54.4053 33.0634 172.4622 13 V 4.7426 8.7849 124.4825 61.0251 34.7332 173.9956 14 R 4.9175 8.4462 128.0320 54.7194 31.0347 176.0157 15 T 4.1745 8.8357 117.6890 61.0350 69.7081 175.0477 16 D 4.3552 8.6828 122.4249 57.4930 41.2143 177.5999 17 S 4.2142 7.9473 110.9411 58.6280 63.6024 172.6328 18 N 4.1838 8.2456 118.6731 55.4558 36.9218 172.4626 19 H 5.1289 8.4198 113.8777 54.0431 33.7962 173.5465 20 D 5.2459 8.6604 119.4578 53.4892 42.3924 176.3733 21 V 4.4658 8.7214 121.9237 61.3026 34.9602 174.4191 22 L 5.5098 8.2786 126.3557 52.0867 45.4841 173.9850 *24 D 4.6613 8.3350 118.5689 55.1543 42.7245 173.4021 25 T 4.9266 7.9066 108.2226 59.7524 72.8535 173.2429 26 K 4.1455 8.5486 119.5504 56.4156 33.0208 178.6488 27 E 4.8073 9.2197 121.6018 59.0007 29.6744 179.5204 28 E 4.0180 8.2331 115.6551 58.6189 29.7401 177.8768 29 V 4.1684 7.7672 110.5424 61.1275 31.8468 176.2155 30 G 4.0460 8.2907 107.9070 45.2544 0.0000 174.4313 31 G 4.1594 8.0411 109.1118 43.5356 0.0000 174.6179 32 K 4.3676 8.6252 117.3989 54.9835 33.4643 175.9178 33 D 4.3291 8.1223 117.5953 55.7592 39.9006 173.5967 34 A 4.5982 8.0750 117.3678 51.6247 20.0780 176.2906 35 A 4.4906 7.2529 116.9755 50.7014 21.8498 174.6595 36 P 4.5969 0.0000 0.0000 62.2080 32.3400 177.6852 37 R 4.5001 8.7628 120.9088 54.9151 31.9410 176.1648 38 P 4.2119 0.0000 0.0000 66.1385 31.3386 178.8270 39 L 4.0400 7.8964 118.1638 57.9998 41.9562 178.6113 40 E 3.9939 8.1707 118.3637 59.3478 29.3399 179.1158 41 L 3.9713 7.8460 118.9932 57.4151 41.6662 179.4618 42 V 3.5218 7.8124 118.2855 66.2852 31.2700 178.2327 43 L 3.9134 7.8258 117.1670 57.6463 41.4952 179.1308 44 T 4.0718 7.9853 115.6040 66.7494 68.6841 176.2022 45 G 3.8576 8.2349 107.5169 47.7477 0.0000 176.3168 46 L 4.2950 7.7867 119.1733 54.9005 40.9686 179.3454 *48 G 3.8697 8.0926 110.4322 45.8941 0.0000 175.5928 49 C 3.9150 8.3376 117.3390 63.0628 28.4793 175.3530 50 T 4.4370 7.3919 112.9747 64.1950 67.3412 177.1547 51 G 3.9277 7.6932 107.4362 46.4575 0.0000 174.8781 *53 D 4.6392 8.2552 120.6047 54.1801 42.9955 178.1652 54 V 3.6216 8.1341 118.0244 66.1162 31.5188 178.2059 55 V 3.6383 8.1340 117.9666 66.0750 31.3074 177.9276 56 S 4.1530 8.0979 112.4210 61.4658 62.1058 176.0901 57 I 3.7823 7.7787 121.5306 64.3740 37.2087 178.1043 58 L 4.1285 8.1516 119.9908 57.6484 41.1666 179.6071 59 R 3.9748 7.9413 118.0029 59.0768 30.0877 179.2257 60 K 3.9654 7.8049 115.6746 56.8331 32.5303 176.8017 *62 K 4.2652 7.9612 114.3616 56.4647 33.4980 176.6371 63 V 4.4380 7.9104 109.4664 60.9253 33.2145 177.9262 64 I 3.9379 7.8174 120.4310 63.6245 38.0847 176.6449 65 D 4.4617 8.1157 118.9324 56.6627 41.4392 176.6500 66 Q 4.3040 7.9240 123.4094 54.7796 27.5728 175.6827 *68 K 4.3273 7.6769 118.8840 56.2386 35.0382 177.0638 69 D 4.8156 8.0559 117.1797 53.1527 45.2813 174.3147 70 F 5.4306 8.3817 124.7822 57.3584 42.3431 173.2535 71 R 4.2431 8.9551 122.0380 54.3860 33.3546 173.7066 72 I 4.5519 7.7114 120.4162 59.4797 39.5553 174.7504 73 E 4.6195 8.8242 126.2138 54.4098 32.2641 174.7101 74 I 4.9250 8.3825 124.0710 59.2287 40.6949 174.2502 75 E 4.9194 9.3438 128.1795 54.7422 32.4365 174.5483 76 Y 5.5767 8.3374 121.4166 55.4883 41.8204 174.2166 77 E 4.8352 9.3691 119.1476 54.8222 33.6798 174.9470 78 R 5.0486 8.3125 122.0776 54.7350 33.3014 174.6483 79 T 4.1259 8.7909 116.3521 62.1072 69.2117 173.8107 80 E 4.3758 8.6514 120.4236 57.0559 31.1905 176.7482 81 E 4.3359 7.7845 117.1127 55.1912 30.7034 175.9106 82 H 4.4355 8.3776 119.8029 55.1378 29.4316 173.4279 83 P 4.5296 0.0000 0.0000 62.1623 32.0018 176.0699 84 R 4.2444 8.5892 123.0606 55.9772 30.6801 175.9818 85 I 4.7422 8.6436 117.0909 58.7512 41.4618 174.6940 86 F 4.7291 9.0070 123.3774 58.0949 39.2863 175.8036 87 T 4.4493 9.0658 113.9955 62.1742 70.7765 174.8191 88 K 4.7298 7.8772 122.5315 55.4716 36.1175 174.7746 89 V 5.0231 8.4744 126.1917 61.8564 35.0473 172.7863 90 H 5.4820 9.7248 127.8182 54.3728 33.3481 171.7437 91 L 5.0925 8.8844 125.1821 52.8731 44.7169 175.3206 92 K 4.9113 9.0878 123.5222 55.1039 34.4689 174.9640 93 Y 4.6001 9.0986 123.4493 56.6267 39.6900 174.7550 94 I 4.9018 8.5894 126.4213 59.4246 40.1770 174.9477 95 F 5.3947 9.3755 125.9442 55.4268 43.0631 174.2303 96 K 5.2405 9.0107 122.9717 53.8471 34.5724 174.8177 97 F 5.2890 8.9613 125.4515 55.4039 41.9242 175.2322 98 D 4.4078 9.1955 122.1769 55.0074 41.1111 178.7485 99 G 3.5628 8.6772 109.2376 46.8311 0.0000 173.4203 100 E 4.1406 8.6249 124.6088 54.4085 30.2957 174.9071 101 P 3.8339 0.0000 0.0000 61.9246 32.3133 176.0707 102 P 4.3365 0.0000 0.0000 61.8167 28.2352 177.0737 103 K 3.9444 7.4520 126.1683 59.5355 32.5742 177.9458 104 D 4.2628 7.9294 117.8347 57.4430 41.0531 178.5198 105 K 3.9126 7.7782 118.3036 59.2540 32.0567 179.3242 106 V 3.3338 7.7017 118.5772 65.9972 31.3465 177.8362 107 E 3.9174 8.2736 118.4003 59.3301 29.2813 179.2870 108 K 3.7963 8.0903 119.2911 59.3699 32.2276 178.7121 109 A 3.8712 8.0894 121.1836 55.1569 18.2503 179.8659 110 V 3.1506 7.9145 117.1646 65.8937 31.5424 177.9712 111 Q 3.8834 8.5018 119.7498 59.0579 28.8496 178.2768 112 L 3.5891 8.0360 120.3099 57.7231 41.1426 179.4400 113 S 3.9975 7.6162 112.8837 61.5004 62.3902 176.2251 114 Q 3.9112 8.1656 120.9485 58.1590 28.2765 177.6147 115 E 4.3921 8.4648 117.7933 56.5991 30.9302 177.0990 116 K 4.2441 7.5648 118.3559 58.6805 32.9773 177.2274 117 Y 4.4131 8.0068 115.3899 59.1325 38.5463 175.5101 118 C 4.7351 8.0526 116.2417 59.7600 25.7569 174.9619 119 S 4.1354 8.3886 115.5651 61.0567 63.3924 177.1272 120 V 3.9804 7.8130 119.0704 65.1395 31.7286 177.9863 121 S 4.1083 7.9832 111.3833 60.9457 63.0620 175.6752 122 A 4.1142 8.2051 124.1404 54.0738 18.0657 177.9060 123 I 4.0358 7.3906 115.9416 62.5526 38.7926 175.6362 124 L 4.2738 7.7173 122.9310 53.0158 42.1680 176.2688 125 K 4.1630 8.3912 126.3938 56.7330 31.4906 176.0466 126 C 5.0539 8.1899 121.4218 58.1383 34.4765 174.9268 127 S 4.3873 8.9808 122.2128 60.3997 62.7215 174.5871 128 S 4.8392 7.3687 112.0758 55.3615 65.6036 173.3517 129 K 3.9639 8.5381 122.5904 56.4499 32.3936 176.6630 130 V 4.0554 8.4991 126.3958 63.6918 31.9454 175.0532 131 T 4.9909 8.9403 117.8645 60.5264 72.0364 172.3448 132 Y 5.4476 7.8863 118.8295 56.5137 40.9849 173.1366 133 E 4.8901 9.5202 117.3484 55.2775 33.7762 173.6877 134 I 5.1227 8.4280 120.6866 59.6371 39.7723 175.3352 135 V 4.4838 8.9835 126.1644 61.2458 34.9054 173.5029 136 Y 5.4125 8.6447 124.2295 56.5055 40.1791 174.6327 137 E 4.8360 9.7557 123.4250 54.6199 33.4576 176.2563 138 N 4.6593 8.6046 117.3577 53.6273 39.2400 174.7822 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 -3 H 8.44 4.71 0.00 3.01 3.09 0.00 5.70 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 9.03 3.99 0.00 3.22 3.23 0.00 5.93 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 H 8.78 4.02 0.00 3.16 3.20 0.00 5.77 0.00 0.00 0.00 0.00 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 7.34 4.62 0.00 2.63 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 Q 8.68 3.63 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.54 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 0 A 7.16 4.21 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 R 9.23 4.77 0.00 1.77 1.90 0.00 3.18 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 5 W 8.97 3.55 0.00 2.53 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.55 3.88 1.64 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 1.17 0.60 0.85 0.00 0.00 7 G 6.61 3.13 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 8 N 8.85 4.21 0.00 2.84 3.16 0.00 0.00 6.94 7.45 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 *11 F 7.47 4.79 0.00 3.10 3.10 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 12 H 9.40 5.34 0.00 3.12 3.13 0.00 5.52 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 8.78 4.74 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 1.02 0.00 0.00 0.97 0.00 0.00 14 R 8.45 4.92 0.00 1.86 1.83 0.00 3.32 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 15 T 8.84 4.17 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 16 D 8.68 4.36 0.00 2.64 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 17 S 7.95 4.21 0.00 4.09 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 18 N 8.25 4.18 0.00 2.79 2.84 0.00 0.00 6.91 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 19 H 8.42 5.13 0.00 3.05 3.12 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.66 5.25 0.00 2.61 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 21 V 8.72 4.47 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 0.94 0.00 0.00 0.93 0.00 0.00 22 L 8.28 5.51 0.00 1.57 1.62 0.95 1.25 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 *24 D 8.33 4.66 0.00 2.89 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 25 T 7.91 4.93 4.28 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 1.28 0.00 0.00 26 K 8.55 4.15 0.00 1.76 1.78 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.54 1.49 7.81 27 E 9.22 4.81 0.00 2.04 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 2.59 2.28 0.00 28 E 8.23 4.02 0.00 2.08 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 2.29 2.35 0.00 29 V 7.77 4.17 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 0.75 0.00 0.00 1.04 0.00 0.00 30 G 8.29 4.05 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 0.00 0.00 0.00 31 G 8.04 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.63 4.37 0.00 1.90 1.78 0.00 1.87 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.46 7.81 33 D 8.12 4.33 0.00 2.70 2.65 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 34 A 8.07 4.60 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 35 A 7.25 4.49 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 36 P 0.00 4.60 0.00 2.07 2.01 0.00 3.91 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 37 R 8.76 4.50 0.00 1.84 1.87 0.00 3.36 0.00 0.00 3.47 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 38 P 0.00 4.21 0.00 2.13 2.07 0.00 3.62 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 2.14 0.00 39 L 7.90 4.04 0.00 1.78 1.70 1.05 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 40 E 8.17 3.99 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 41 L 7.85 3.97 0.00 1.87 1.69 0.92 0.77 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 42 V 7.81 3.52 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 0.95 0.00 0.00 0.91 0.00 0.00 43 L 7.83 3.91 0.00 1.58 1.58 0.38 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.99 4.07 4.38 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 1.17 0.00 0.00 45 G 8.23 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 46 L 7.79 4.30 0.00 1.76 1.58 0.70 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *48 G 8.09 3.87 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 0.00 0.00 0.00 49 C 8.34 3.91 0.00 3.17 3.03 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 50 T 7.39 4.44 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 1.28 0.00 0.00 51 G 7.69 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *53 D 8.26 4.64 0.00 3.11 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 54 V 8.13 3.62 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.10 0.00 0.00 55 V 8.13 3.64 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 1.02 0.00 0.00 1.23 0.00 0.00 56 S 8.10 4.15 0.00 3.98 4.05 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 57 I 7.78 3.78 1.94 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.88 0.90 0.00 0.00 58 L 8.15 4.13 0.00 1.77 1.76 0.87 0.58 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 59 R 7.94 3.97 0.00 1.92 2.20 0.00 3.30 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 60 K 7.80 3.97 0.00 1.94 1.97 0.00 1.91 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.51 7.81 *62 K 7.96 4.27 0.00 1.81 1.87 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.64 7.81 63 V 7.91 4.44 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.97 0.00 0.00 64 I 7.82 3.94 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.95 0.00 0.00 65 D 8.12 4.46 0.00 2.74 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 66 Q 7.92 4.30 0.00 2.24 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.38 0.00 0.00 0.00 0.00 0.00 2.67 2.42 0.00 *68 K 7.68 4.33 0.00 1.81 1.90 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.52 7.81 69 D 8.06 4.82 0.00 2.72 2.45 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 70 F 8.38 5.43 0.00 2.87 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 71 R 8.96 4.24 0.00 1.60 1.74 0.00 2.68 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 72 I 7.71 4.55 1.53 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 -0.14 0.55 0.00 0.00 73 E 8.82 4.62 0.00 1.81 1.77 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 2.12 2.10 0.00 74 I 8.38 4.92 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.00 1.02 0.00 0.00 75 E 9.34 4.92 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 76 Y 8.34 5.58 0.00 3.29 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 77 E 9.37 4.84 0.00 1.95 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 0.00 2.17 2.22 0.00 78 R 8.31 5.05 0.00 1.34 1.59 0.00 2.21 0.00 0.00 2.88 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.22 0.00 79 T 8.79 4.13 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 1.20 0.00 0.00 80 E 8.65 4.38 0.00 1.92 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 2.18 2.20 0.00 81 E 7.78 4.34 0.00 2.19 1.85 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 2.28 1.89 0.00 82 H 8.38 4.44 0.00 3.15 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 P 0.00 4.53 0.00 2.19 2.07 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 84 R 8.59 4.24 0.00 1.67 1.89 0.00 3.09 0.00 0.00 3.31 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 85 I 8.64 4.74 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.35 1.01 0.00 0.00 86 F 9.01 4.73 0.00 3.27 3.06 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 0.00 0.00 0.00 87 T 9.07 4.45 4.28 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 1.29 0.00 0.00 88 K 7.88 4.73 0.00 1.87 1.71 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.34 7.81 89 V 8.47 5.02 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 0.97 0.00 0.00 0.97 0.00 0.00 90 H 9.72 5.48 0.00 3.27 3.15 0.00 5.78 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 L 8.88 5.09 0.00 1.65 1.21 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.09 4.91 0.00 1.58 1.70 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.57 1.44 7.81 93 Y 9.10 4.60 0.00 3.14 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 94 I 8.59 4.90 1.76 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 1.20 0.73 0.91 0.00 0.00 95 F 9.38 5.39 0.00 3.18 3.01 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 96 K 9.01 5.24 0.00 1.85 1.65 0.00 1.65 0.00 0.00 1.79 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.51 7.81 97 F 8.96 5.29 0.00 2.97 2.91 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 98 D 9.20 4.41 0.00 2.63 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.68 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 E 8.62 4.14 0.00 1.85 1.77 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 2.17 2.22 0.00 101 P 0.00 3.83 0.00 1.18 1.57 0.00 3.48 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.92 0.00 102 P 0.00 4.34 0.00 2.00 1.94 0.00 2.20 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.59 0.00 103 K 7.45 3.94 0.00 1.66 1.83 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.88 1.06 7.81 104 D 7.93 4.26 0.00 2.71 2.59 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 0.00 105 K 7.78 3.91 0.00 1.85 1.74 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.40 7.81 106 V 7.70 3.33 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 0.58 0.00 0.00 0.52 0.00 0.00 107 E 8.27 3.92 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 2.36 2.53 0.00 108 K 8.09 3.80 0.00 1.90 1.91 0.00 1.46 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.43 7.81 109 A 8.09 3.87 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 0.00 110 V 7.91 3.15 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.61 0.00 0.00 111 Q 8.50 3.88 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.58 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 112 L 8.04 3.59 0.00 1.59 0.89 0.83 0.46 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 0.00 113 S 7.62 4.00 0.00 3.88 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 0.00 114 Q 8.17 3.91 0.00 1.65 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.36 0.00 0.00 0.00 0.00 0.00 1.84 1.16 0.00 115 E 8.46 4.39 0.00 1.92 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 2.39 2.48 0.00 116 K 7.56 4.24 0.00 1.58 1.63 0.00 1.73 0.00 0.00 1.66 0.00 0.00 3.21 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.53 1.48 7.81 117 Y 8.01 4.41 0.00 3.10 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 0.00 118 C 8.05 4.74 0.00 3.13 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 0.00 119 S 8.39 4.14 0.00 3.93 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 0.00 120 V 7.81 3.98 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 1.12 0.00 0.00 0.91 0.00 0.00 121 S 7.98 4.11 0.00 4.07 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 0.00 122 A 8.21 4.11 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 0.00 123 I 7.39 4.04 1.94 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.64 0.84 0.00 0.00 124 L 7.72 4.27 0.00 1.36 1.51 0.26 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 125 K 8.39 4.16 0.00 1.82 1.78 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.43 7.81 126 C 8.19 5.05 0.00 2.91 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 0.00 127 S 8.98 4.39 0.00 3.94 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 0.00 128 S 7.37 4.84 0.00 3.95 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 0.00 129 K 8.54 3.96 0.00 1.77 1.80 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.48 7.81 130 V 8.50 4.06 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 0.93 0.00 0.00 131 T 8.94 4.99 4.32 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 1.25 0.00 0.00 132 Y 7.89 5.45 0.00 3.33 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 0.00 133 E 9.52 4.89 0.00 2.08 2.13 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 2.31 2.39 0.00 134 I 8.43 5.12 1.94 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 1.42 0.83 0.76 0.00 0.00 135 V 8.98 4.48 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 1.11 0.00 0.00 0.98 0.00 0.00 136 Y 8.64 5.41 0.00 3.09 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 0.00 137 E 9.76 4.84 0.00 1.93 1.89 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 2.29 2.32 0.00 138 N 8.60 4.66 0.00 2.72 2.72 0.00 0.00 6.79 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.