NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 E 4.1144 8.2876 121.6365 56.1487 31.4156 174.0523 6 W 5.2821 7.4546 119.1369 53.5687 30.9318 170.2325 7 E 4.9580 10.2172 121.2355 54.7371 32.6338 176.3450 8 S 5.1927 8.9889 117.7255 58.5940 63.9263 173.3842 9 I 4.4693 9.6985 125.2721 60.1431 39.2127 175.0259 10 T 4.6543 8.1826 122.3483 59.6780 70.2355 171.3595 11 P 4.4317 0.0000 0.0000 61.5098 32.3258 173.9743 12 P 4.2581 0.0000 0.0000 62.7308 32.3102 175.5099 13 V 3.9881 8.2575 122.5697 61.5128 32.6749 175.3970 14 V 3.8336 8.2281 121.5894 61.2497 32.8284 175.4824 15 D 4.4290 8.7292 121.2074 55.2798 39.1190 173.7312 16 A 4.6614 7.8155 118.4643 49.8155 20.2596 176.2478 17 P 4.5560 0.0000 0.0000 62.2860 31.9531 176.4487 18 A 4.2432 8.8633 123.3664 55.1521 19.2801 178.0389 19 V 4.9241 7.7918 113.1589 61.4381 34.9501 174.7708 20 V 4.5656 9.1880 127.6833 60.9817 34.8218 173.6374 21 E 5.2088 8.9256 128.1991 54.4677 32.7087 174.5180 22 F 5.2101 9.4559 126.6014 57.3614 40.7533 174.8224 23 F 5.2638 9.2547 117.0563 56.2683 41.9890 172.6158 24 S 3.9049 8.2081 112.0795 56.4035 65.3103 174.6603 25 F 4.1209 8.4866 124.0868 59.6955 38.8819 175.5963 26 Y 4.4470 7.8554 117.2658 58.0674 38.0956 175.1584 27 C 4.6674 8.0176 121.9104 57.0399 32.8187 171.9980 28 P 4.3683 0.0000 0.0000 65.5778 31.0555 176.9960 29 P 4.1933 0.0000 0.0000 65.2913 31.1405 178.6328 30 C 3.9475 7.9457 115.4894 62.8720 28.2397 174.7766 31 Y 2.7522 8.0250 120.9057 60.4393 38.0271 178.2951 32 A 3.8561 7.8595 122.5208 54.7304 18.5453 179.4237 33 F 3.9761 8.5208 116.6125 60.6685 38.7075 177.8331 34 S 4.2592 7.7431 112.5788 59.8330 62.2518 174.6865 35 Q 4.3234 8.0881 120.0480 56.4849 30.2061 177.0883 36 T 4.2127 7.0842 106.9432 61.4828 69.1341 175.1840 *38 G 3.9221 7.9614 108.8855 45.9343 0.0000 175.9795 39 V 3.2444 7.6337 121.0512 65.7337 31.4669 177.4027 40 D 4.2301 7.8367 118.6652 57.4013 40.7332 178.6488 41 Q 3.9252 7.8917 119.3880 58.9232 28.8831 177.8878 42 A 3.9704 7.6845 121.2309 54.9181 18.5388 179.3774 43 I 3.7918 7.8857 118.6360 64.6771 37.0764 178.9340 44 R 3.9670 8.0316 118.7342 59.3953 29.5867 178.7889 45 H 4.4314 7.8457 115.0040 58.0141 28.6764 176.5008 46 V 4.1911 7.1234 112.3573 60.9115 31.5423 175.7973 47 L 4.2014 7.4418 121.6165 53.6763 42.1712 175.5612 48 P 4.4844 0.0000 0.0000 61.9163 32.1005 175.7643 49 Q 4.2091 8.4040 119.1956 57.7800 28.8930 177.9099 50 G 3.9996 8.8914 110.0316 45.6574 0.0000 173.7734 51 S 4.6898 7.7405 115.7458 58.1417 64.8565 174.0327 52 R 4.2326 7.8157 121.5041 55.4853 33.6342 174.3382 *54 V 3.9835 8.4209 109.8138 61.0076 33.4711 174.4194 55 K 4.8408 8.4497 122.2961 54.7619 34.6121 175.0333 56 Y 5.1945 8.8843 122.2333 56.5349 40.8304 174.5512 57 H 4.2696 9.9923 124.3096 55.2725 31.1943 174.5417 58 V 4.5472 7.6815 117.5660 59.6636 33.7244 176.0562 59 S 4.5745 8.3239 117.7748 57.9767 63.7979 175.8464 60 L 3.8798 7.4607 121.4675 57.9382 40.6432 176.9158 61 L 3.9953 7.6382 121.6314 54.9480 42.8150 176.8050 62 G 2.9389 8.2940 110.7732 44.3652 0.0000 172.4243 63 P 4.1690 0.0000 0.0000 65.4630 31.4938 177.7937 64 L 4.8826 7.8803 116.4306 54.2317 42.0674 179.0183 65 G 4.2844 7.9392 110.3181 47.9544 0.0000 176.0742 66 H 4.2075 8.1608 118.4357 58.4285 28.4014 177.5935 67 E 4.0263 8.2065 119.9564 59.5133 29.3879 179.3104 68 L 3.8301 8.3196 119.3447 57.9485 41.5300 179.7062 69 T 4.0371 7.8168 115.7356 66.4679 68.2699 176.8344 70 R 3.8862 8.2823 120.6043 59.1887 30.0704 178.2997 71 A 3.9720 8.3670 121.0377 55.0356 18.2096 179.3427 72 W 4.4155 8.6981 125.6284 60.7270 30.8546 177.5048 73 A 4.1536 8.2706 119.8716 55.1793 17.8578 179.0499 74 L 4.0169 7.9099 117.6264 58.0107 42.4114 179.9047 75 A 4.1629 8.2597 118.8453 52.5821 18.1801 178.3971 *77 V 3.8293 7.5419 117.5622 64.3597 32.8731 175.8224 *79 K 4.1648 7.8162 114.8764 56.5062 33.4484 175.6897 80 E 4.7341 7.9715 114.5773 55.9656 30.7784 179.4248 81 T 3.5641 7.9170 111.7320 64.8282 68.9973 174.7214 82 D 4.4406 8.0850 121.2424 57.4541 40.9481 179.1640 83 V 3.6718 7.7238 112.1513 64.5263 31.6034 178.6335 84 I 3.7357 7.7671 119.2583 63.9641 36.9986 178.0935 85 E 4.5868 9.1218 120.9025 59.3724 29.6256 178.7854 86 K 4.3887 8.4887 120.5352 59.0603 32.2234 178.5914 87 A 3.8969 8.1585 121.0699 55.2662 18.2587 179.6498 88 F 3.8265 8.0493 116.1574 60.3182 38.6137 178.2092 89 F 4.6092 7.9798 116.7230 60.6733 38.9716 177.7243 90 T 4.0781 8.2747 115.4159 66.6485 68.2628 176.6659 91 A 4.0530 8.2676 123.0720 54.7132 18.3412 179.0329 92 G 3.6071 7.9842 102.0885 45.6953 0.0000 175.6388 *94 V 3.9246 7.5123 119.6547 62.3463 33.0302 175.6607 95 E 4.4586 8.0356 115.3022 55.0913 30.6866 175.6831 96 K 3.9791 8.0510 117.9385 57.8298 30.2687 175.0342 97 R 4.5926 8.1710 109.3881 56.2808 29.9088 176.6628 98 L 4.6031 7.5382 118.4993 53.9428 41.8804 175.4560 99 H 4.8940 9.5766 118.9329 55.4331 31.4466 174.7830 100 S 4.8967 7.9986 111.7695 55.3060 67.4133 172.7750 101 P 4.4206 0.0000 0.0000 65.9558 31.0626 178.3853 102 D 4.3423 8.1602 116.1676 57.5095 41.0756 177.8491 103 D 4.4198 8.0530 119.4298 57.1687 40.7375 178.8965 104 V 3.8684 7.6984 118.5508 66.1469 31.4217 177.8742 105 R 3.1214 7.9082 116.5243 59.2204 29.8580 177.8836 106 R 3.9065 8.0438 117.3811 59.3821 30.5107 178.2161 107 V 3.5368 8.0763 118.3627 65.8171 31.3941 177.9290 108 F 3.7086 7.9951 116.3876 59.5189 38.8726 176.3707 *110 S 4.3222 7.9982 111.4758 57.6156 64.7244 174.5981 111 A 4.1138 7.6598 123.6244 54.0098 18.6572 178.1324 112 T 4.1939 7.7951 103.4463 60.8165 69.7933 176.0656 113 G 3.9689 8.2721 109.6986 45.4683 0.0000 173.9711 114 I 3.9226 7.1557 112.7234 60.6263 38.2406 176.5816 115 S 4.5385 8.3433 117.1965 57.4765 65.4179 175.2484 116 R 4.0018 8.5057 121.4531 59.6120 29.7481 178.5459 117 G 3.6412 8.0950 104.9835 47.6921 0.0000 175.0235 118 E 3.9263 8.2608 121.8126 59.1419 29.7007 177.9982 119 Y 3.8717 8.3318 119.8010 61.0945 38.6307 177.9626 120 D 4.4497 8.4167 118.5387 57.3728 41.3246 179.0136 121 R 4.0269 8.1762 118.5331 59.5837 30.1426 179.3815 122 S 4.1853 8.1669 115.0212 61.2660 62.5896 176.4756 123 I 3.3655 7.8929 121.2152 62.5517 37.4754 176.4403 124 K 4.5037 7.0478 116.2011 56.1888 32.9222 176.8976 125 S 4.3779 7.8849 115.0465 57.7456 65.1218 172.6614 126 P 4.1681 0.0000 0.0000 66.1088 30.8864 178.5977 127 A 4.0095 7.9191 117.1629 55.2856 18.3546 179.4108 128 V 3.6670 7.1519 115.1072 65.9826 31.9264 177.4759 129 N 4.5019 8.5411 116.7537 56.5490 38.3073 177.5786 130 D 4.2744 8.2849 116.6051 55.2211 40.7615 178.5096 *132 V 3.9822 7.7217 120.0341 63.0011 33.3447 177.3039 133 A 4.0281 8.0470 121.2990 55.0249 18.0586 179.1251 134 L 3.8737 8.1579 118.9044 58.6337 42.2600 179.4011 135 Q 3.9251 8.0254 117.2174 59.1047 28.5468 178.4908 136 E 4.0933 8.3635 119.6395 59.1704 29.4726 179.4100 137 R 3.8962 8.4290 119.3823 59.3701 30.2602 178.4935 138 L 4.2633 8.5258 118.9557 57.1600 41.5705 179.0815 139 F 3.6004 8.3223 121.0171 61.0258 39.2892 177.3180 140 K 3.8802 7.8250 117.5465 59.6944 31.7985 179.0602 141 E 3.9792 7.9718 117.3270 59.6322 29.4932 178.4822 142 Y 3.9712 7.9307 113.9159 57.0000 38.5514 175.4025 143 G 3.7121 8.1827 108.3227 46.1159 0.0000 174.6469 144 V 3.5735 6.7731 118.3982 62.1536 32.0083 175.3355 145 R 4.3593 8.5007 125.3518 57.3909 31.6766 175.7219 146 G 4.2306 7.5713 103.7108 44.7634 0.0000 171.1688 147 T 5.0201 8.0626 108.5256 58.8594 71.5247 172.3411 148 P 4.7277 0.0000 0.0000 62.9952 32.8425 175.8648 149 S 4.5312 8.9327 115.4325 56.8384 65.2592 172.4603 150 V 4.7997 8.3312 127.8734 61.7546 33.1245 174.0661 151 Y 5.5477 9.4735 125.2896 56.3987 41.8714 174.5673 152 V 4.6050 9.0752 122.5882 61.8910 34.2877 175.9721 153 R 3.8202 9.6781 127.6419 57.3542 28.3767 177.2791 154 G 4.0182 8.2263 102.1603 45.6242 0.0000 175.4641 155 R 4.0618 7.9678 118.4255 57.1487 32.3174 175.8232 156 Y 5.1281 7.5520 115.7411 56.4819 40.9866 174.1605 157 H 5.3861 9.7020 124.0260 54.5575 32.1377 173.5807 158 I 4.2339 8.4234 127.5188 61.2050 38.0701 175.6818 159 N 4.6069 8.7019 126.2480 52.1702 38.2959 174.8425 160 N 4.7668 9.2152 124.4942 56.5900 38.9135 177.2587 161 A 4.2717 7.9840 117.9007 53.9072 18.6149 177.8189 162 A 4.0566 8.2265 117.8476 52.6528 18.5741 177.4512 163 F 4.5310 7.9772 115.6131 55.4739 39.0777 175.5220 164 G 3.8585 8.5242 115.3909 44.4749 0.0000 171.7195 165 A 4.5432 8.2179 126.5824 50.7969 22.2072 175.6113 166 F 5.0516 8.4931 118.3872 58.0176 40.1532 176.7213 167 S 4.7778 7.5876 115.2477 55.5221 67.2556 174.7336 168 V 3.6070 8.4168 122.6740 66.2687 31.2384 177.9538 169 E 3.9291 8.1896 118.4487 59.3535 29.4787 178.4765 170 N 4.3155 8.1319 116.1035 56.2403 38.7008 176.9324 171 F 4.0330 8.1991 122.0281 61.4439 39.4854 176.8478 172 R 3.6726 8.6518 118.3356 59.7634 29.8333 178.6082 173 S 4.0821 8.1905 114.7197 61.7202 62.6943 176.9869 174 R 4.0244 8.3723 121.1357 58.9563 29.7240 178.5838 175 Y 2.7090 7.5105 119.3352 60.2218 38.6659 177.4743 176 A 3.9387 7.8068 121.3929 55.0154 18.5706 179.1561 177 A 4.0567 7.9535 119.2202 55.6811 18.4791 180.1900 178 V 3.6124 7.5956 116.3932 65.9380 31.6366 178.4526 179 V 3.5617 7.6468 118.3436 65.7860 31.1602 178.0200 180 R 3.9204 8.6930 118.8166 58.8692 30.0068 178.2848 181 K 4.0488 7.7384 119.2159 59.4275 32.1687 178.8490 182 L 3.6740 7.5807 117.0529 56.6874 41.5294 178.4845 183 L 4.3806 7.5041 116.6192 53.9329 42.0847 176.7960 184 A 4.0209 7.5278 123.5193 52.5994 18.7548 177.8375 185 G 3.7399 8.4238 110.9872 45.9383 0.0000 172.3062 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 5 E 8.29 4.11 0.00 1.78 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 2.04 2.01 0.00 6 W 7.45 5.28 0.00 3.57 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 7 E 10.22 4.96 0.00 2.17 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 2.32 2.50 0.00 8 S 8.99 5.19 0.00 4.09 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 9 I 9.70 4.47 2.14 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.70 0.92 0.00 0.00 10 T 8.18 4.65 4.26 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 1.23 0.00 0.00 11 P 0.00 4.43 0.00 2.15 1.99 0.00 3.80 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.93 0.00 12 P 0.00 4.26 0.00 1.87 1.96 0.00 3.61 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 13 V 8.26 3.99 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 0.70 0.00 0.00 0.05 0.00 0.00 14 V 8.23 3.83 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 0.65 0.00 0.00 0.89 0.00 0.00 15 D 8.73 4.43 0.00 2.82 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 16 A 7.82 4.66 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 17 P 0.00 4.56 0.00 2.01 2.04 0.00 3.94 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 18 A 8.86 4.24 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 19 V 7.79 4.92 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 0.80 0.00 0.00 0.97 0.00 0.00 20 V 9.19 4.57 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 0.51 0.00 0.00 1.06 0.00 0.00 21 E 8.93 5.21 0.00 2.04 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 2.25 2.36 0.00 22 F 9.46 5.21 0.00 3.27 3.15 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 0.00 23 F 9.25 5.26 0.00 2.97 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 24 S 8.21 3.90 0.00 3.63 3.60 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 0.00 0.00 0.00 0.00 25 F 8.49 4.12 0.00 2.76 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 26 Y 7.86 4.45 0.00 3.01 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 27 C 8.02 4.67 0.00 3.06 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 28 P 0.00 4.37 0.00 2.23 2.15 0.00 3.71 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.25 0.00 29 P 0.00 4.19 0.00 1.88 1.94 0.00 3.54 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 30 C 7.95 3.95 0.00 3.43 3.27 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 0.00 31 Y 8.02 2.75 0.00 2.81 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 32 A 7.86 3.86 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 33 F 8.52 3.98 0.00 3.03 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 34 S 7.74 4.26 0.00 4.00 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 35 Q 8.09 4.32 0.00 1.23 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.62 0.00 0.00 0.00 0.00 0.00 1.97 2.57 0.00 36 T 7.08 4.21 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 0.68 0.00 0.00 *38 G 7.96 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.63 3.24 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 -0.06 0.00 0.00 0.46 0.00 0.00 40 D 7.84 4.23 0.00 2.67 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 41 Q 7.89 3.93 0.00 2.02 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.09 2.25 0.00 42 A 7.68 3.97 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 43 I 7.89 3.79 1.95 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.26 0.92 0.00 0.00 44 R 8.03 3.97 0.00 1.93 1.95 0.00 3.08 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 45 H 7.85 4.43 0.00 3.29 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 7.12 4.19 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 0.73 0.00 0.00 0.96 0.00 0.00 47 L 7.44 4.20 0.00 1.69 1.61 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 48 P 0.00 4.48 0.00 2.18 1.97 0.00 3.62 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 2.12 2.11 0.00 49 Q 8.40 4.21 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 50 G 8.89 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 51 S 7.74 4.69 0.00 4.16 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 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0.00 0.00 0.00 1.01 0.00 0.00 0.98 0.00 0.00 133 A 8.05 4.03 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 0.00 134 L 8.16 3.87 0.00 1.88 1.71 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 135 Q 8.03 3.93 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.69 0.00 0.00 0.00 0.00 0.00 2.77 2.63 0.00 136 E 8.36 4.09 0.00 2.03 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 2.58 2.47 0.00 137 R 8.43 3.90 0.00 1.92 2.14 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 138 L 8.53 4.26 0.00 1.74 2.02 0.71 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 139 F 8.32 3.60 0.00 3.40 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 0.00 140 K 7.83 3.88 0.00 2.11 1.85 0.00 1.79 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.58 1.65 7.81 141 E 7.97 3.98 0.00 1.91 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 2.29 2.50 0.00 142 Y 7.93 3.97 0.00 2.58 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 0.00 0.00 0.00 0.00 143 G 8.18 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 0.00 0.00 0.00 144 V 6.77 3.57 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 0.82 0.00 0.00 -0.33 0.00 0.00 145 R 8.50 4.36 0.00 1.80 1.95 0.00 3.28 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 146 G 7.57 4.23 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 0.00 0.00 0.00 147 T 8.06 5.02 4.30 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 1.32 0.00 0.00 148 P 0.00 4.73 0.00 1.99 1.93 0.00 3.42 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.71 0.00 149 S 8.93 4.53 0.00 4.32 3.94 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 0.00 0.00 0.00 150 V 8.33 4.80 2.28 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 1.16 0.00 0.00 1.20 0.00 0.00 151 Y 9.47 5.55 0.00 3.10 3.15 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 0.00 152 V 9.08 4.61 2.37 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 1.12 0.00 0.00 1.02 0.00 0.00 153 R 9.68 3.82 0.00 1.83 1.91 0.00 3.56 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 154 G 8.23 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 0.00 155 R 7.97 4.06 0.00 0.67 1.01 0.00 2.76 0.00 0.00 3.01 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.50 0.00 156 Y 7.55 5.13 0.00 2.88 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 0.00 157 H 9.70 5.39 0.00 3.54 3.37 0.00 5.60 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 I 8.42 4.23 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.79 0.61 0.00 0.00 159 N 8.70 4.61 0.00 2.72 2.71 0.00 0.00 6.92 7.41 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 0.00 160 N 9.22 4.77 0.00 3.02 3.30 0.00 0.00 6.93 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 7.98 4.27 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 0.00 162 A 8.23 4.06 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 F 7.98 4.53 0.00 3.25 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 0.00 164 G 8.52 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 0.00 165 A 8.22 4.54 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 0.00 166 F 8.49 5.05 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.59 4.78 0.00 4.03 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 0.00 168 V 8.42 3.61 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 1.00 0.00 0.00 0.89 0.00 0.00 169 E 8.19 3.93 0.00 2.08 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 2.39 2.41 0.00 170 N 8.13 4.32 0.00 3.01 2.88 0.00 0.00 6.68 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 0.00 171 F 8.20 4.03 0.00 3.11 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 0.00 172 R 8.65 3.67 0.00 1.87 2.13 0.00 3.16 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 173 S 8.19 4.08 0.00 4.06 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 0.00 174 R 8.37 4.02 0.00 1.95 2.27 0.00 3.20 0.00 0.00 3.15 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 175 Y 7.51 2.71 0.00 2.12 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 0.00 176 A 7.81 3.94 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 0.00 177 A 7.95 4.06 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 0.00 178 V 7.60 3.61 2.20 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 1.08 0.00 0.00 1.07 0.00 0.00 179 V 7.65 3.56 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 0.95 0.00 0.00 0.91 0.00 0.00 180 R 8.69 3.92 0.00 1.80 2.10 0.00 3.30 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 181 K 7.74 4.05 0.00 1.97 1.87 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.44 7.81 182 L 7.58 3.67 0.00 1.49 1.46 0.26 -1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 183 L 7.50 4.38 0.00 1.70 1.71 0.93 0.83 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 0.00 184 A 7.53 4.02 1.31 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 0.00 185 G 8.42 3.74 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 0.00 * Residues marked with a * may have inaccurate shift predictions.