NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4426 8.3044 118.1945 55.1816 33.1582 175.5246 5 S 4.2361 8.3453 111.2746 56.2155 65.0201 171.7331 6 L 4.6274 9.4563 129.7490 55.6322 43.4120 174.7357 7 Y 5.1612 9.4529 123.7629 56.1519 42.4490 174.4487 8 R 5.2358 8.8860 120.9111 54.5561 33.9450 173.7996 9 L 5.2909 9.3622 127.1384 53.3570 45.4201 174.8130 10 I 5.1482 8.8753 127.3053 59.7576 39.8292 174.3035 11 Y 5.4767 8.7312 123.9572 55.4260 42.0903 174.0310 12 S 5.3870 9.3842 114.6242 56.9151 67.0266 172.7261 13 S 5.0303 9.0168 114.4586 57.5430 67.4185 172.4862 14 Q 4.8081 8.8658 119.2538 53.9327 29.9426 176.2088 15 G 4.4267 9.2583 113.0089 45.9752 0.0000 172.9125 16 I 4.2866 8.6516 115.6438 59.6677 39.0664 173.9306 17 P 4.3655 0.0000 0.0000 64.1171 31.6841 175.6010 18 N 4.1753 8.8410 117.7348 53.8739 37.3517 174.3892 19 L 3.9209 7.4891 117.9585 55.9165 42.4186 178.2376 20 Q 4.5926 8.4030 121.3847 52.9736 30.0341 171.4104 21 P 4.3240 0.0000 0.0000 66.6034 31.1515 178.9101 22 Q 4.0558 8.2134 120.2138 59.5813 28.9215 178.6247 23 D 4.3274 8.0963 122.5133 58.1950 39.9188 181.6794 24 L 4.0902 7.8127 121.7612 57.7416 42.0993 178.7619 25 K 3.8817 8.3770 119.8712 59.6964 32.1487 178.2198 26 D 4.3910 8.3466 119.3893 57.6277 40.6869 179.0972 27 I 3.6388 7.8788 120.0105 64.5016 37.0520 178.5826 28 L 4.4035 7.8975 120.9661 56.9080 41.4565 179.3505 29 E 3.9892 8.3475 118.9025 59.4776 29.3775 179.5034 30 S 4.0779 8.0300 115.3443 61.6373 62.7973 176.9805 31 S 3.8221 8.2361 117.1143 61.3878 62.4894 176.2638 32 Q 4.1106 8.2894 122.5948 58.7993 28.8201 177.9638 33 R 4.0094 7.6819 119.1897 58.9371 30.1525 177.5017 34 N 4.5596 8.0676 115.5935 55.3795 39.2081 177.0613 35 N 4.1291 7.9185 118.0479 56.0375 38.3998 175.6656 36 P 4.2657 0.0000 0.0000 65.5543 31.1898 178.4748 37 A 4.0173 7.9314 119.1971 54.4586 18.5929 177.5423 38 N 4.6256 7.6782 111.2501 52.6984 38.7815 175.4984 39 G 3.9352 7.6108 105.9626 46.4396 0.0000 173.6696 40 I 5.0349 8.1240 120.2834 59.4113 38.1379 175.5742 41 T 4.9759 9.6181 114.1390 59.5704 71.9433 173.9221 42 G 3.9587 7.0798 106.9726 45.8068 0.0000 171.6355 43 L 4.0100 7.5565 119.9883 53.4799 45.8730 174.8246 44 L 5.1474 8.1825 126.2406 53.5382 44.7137 174.6178 45 C 5.4504 9.6821 124.0958 58.1698 31.8832 172.3799 46 Y 4.9539 9.2956 123.0493 56.1516 41.6421 174.0340 47 S 4.9306 8.8144 125.0706 55.0455 64.0457 173.0532 48 K 3.1498 7.7746 126.5959 54.5088 31.8592 173.1035 49 P 4.6905 0.0000 0.0000 61.7332 32.8626 174.7872 50 A 4.9439 8.0301 123.6416 51.1700 21.0136 176.5418 51 F 5.4224 9.0107 119.8193 55.8548 41.9583 174.7617 52 L 5.0911 9.1554 124.1006 53.3765 45.2943 174.9131 53 Q 5.0557 8.5730 126.7836 54.1773 33.0417 173.7881 54 V 4.9725 8.5735 125.0295 59.8993 34.4351 174.4077 55 L 5.3453 9.2263 123.4846 53.0728 45.0500 175.3031 56 E 5.1805 10.4534 122.8306 53.9298 33.4338 176.8535 57 G 4.0775 8.0466 108.8728 44.9212 0.0000 171.0334 58 E 4.4574 8.0890 119.7196 56.0082 31.3497 177.2385 59 C 3.6430 9.0879 129.3971 63.5877 31.4984 176.8456 60 E 3.9531 8.0131 118.9190 61.1608 29.2458 180.7516 61 Q 4.1674 7.5707 115.8818 58.7511 28.8350 178.7576 62 V 3.6031 8.1940 119.7541 66.0066 31.4594 177.9439 63 N 4.4004 8.2432 116.1882 56.2403 38.4564 176.8715 64 E 3.9123 8.2657 120.7318 59.6596 29.6179 178.8958 65 T 3.7565 8.0751 115.7234 66.8446 68.4910 175.7975 66 Y 3.9475 8.3844 121.5682 61.2654 38.6069 178.0971 67 H 3.8529 8.3581 115.8204 58.1581 29.1255 177.5566 68 R 3.9189 7.8921 120.9131 59.5445 29.9761 178.3722 69 I 3.5201 7.7153 119.7984 64.5308 36.8540 178.3234 70 V 3.2650 7.0974 117.8386 66.0812 31.2315 177.5316 71 Q 4.1495 7.5912 115.0947 56.0215 29.3893 175.9340 72 D 4.2839 7.6891 123.8020 55.1532 41.5170 177.2210 73 E 4.3575 8.7178 121.3541 57.2999 30.2988 174.3890 74 R 4.4394 8.9244 117.3035 57.8848 30.5516 175.3345 75 H 5.4040 7.8262 111.7210 54.8018 31.9170 171.3080 76 H 4.7433 9.0073 114.6858 54.8398 31.8010 172.7636 77 S 3.9878 8.7677 112.6156 58.7701 60.0461 171.5336 78 P 4.6179 0.0000 0.0000 63.2143 32.0789 175.9928 79 Q 4.5962 9.5255 119.5351 54.1195 32.2035 174.6354 80 I 4.1205 8.5568 125.9618 61.5912 37.1583 176.1938 81 I 4.1634 8.7548 128.7609 63.6319 38.0717 176.0013 82 E 4.7699 7.8980 119.9698 55.4570 33.1392 173.9272 83 C 5.2333 8.4532 125.3811 58.8375 34.4295 172.5781 84 M 4.4911 8.7420 122.3709 53.4727 34.5199 172.4204 85 P 4.0697 0.0000 0.0000 62.3478 32.1234 175.8080 86 I 4.5766 8.2956 115.9479 59.1713 40.0972 175.9433 87 R 4.0976 8.6945 122.4181 58.9140 30.3601 176.9997 88 R 4.5335 7.2492 110.8443 54.6974 31.9379 174.7363 89 R 4.3784 8.0931 117.9084 56.5299 30.6652 176.4608 90 N 5.0123 9.7079 116.4492 52.9491 40.4851 175.0256 91 F 4.6744 9.3168 117.3035 56.0278 41.2037 172.4255 92 E 3.8137 8.7437 129.2366 55.0986 27.4465 175.6460 93 V 4.6573 7.5813 114.8775 60.5937 36.7962 173.9626 94 W 4.7160 8.8048 133.9331 56.9264 31.0650 175.4620 95 S 3.8042 7.6894 123.7833 58.3836 61.5770 173.5745 96 M 4.1458 8.6367 127.7499 58.4977 32.3212 176.3303 97 Q 4.0673 7.6876 118.3075 55.5180 29.9264 174.8303 98 A 4.4564 8.2621 126.4873 51.5323 20.2897 176.4138 99 I 4.1369 8.2439 121.4096 60.3196 38.9336 174.9952 100 T 4.9910 8.3575 117.1288 60.2350 70.7158 174.3277 101 V 4.4321 8.6994 125.0547 61.5865 34.2120 173.5242 102 N 4.8662 8.8698 127.3065 52.2553 39.4131 174.2827 103 D 4.6143 8.7107 116.5871 55.8106 41.4986 177.3363 104 L 4.6540 7.5909 116.2763 55.1506 42.3656 176.6681 105 S 4.3857 7.6180 114.9884 58.4212 63.4633 175.0180 106 T 4.0833 8.3417 118.8549 63.7043 70.1152 175.3026 107 E 3.9523 8.8277 122.8004 59.7561 29.4534 179.6581 108 Q 3.9353 8.0157 118.9360 59.1744 29.2444 178.3684 109 V 3.6827 7.7732 118.6676 66.0951 31.7846 177.8173 110 K 4.0269 8.3680 118.4124 59.9772 31.8899 179.4511 111 T 3.9259 8.3236 116.2181 66.4356 68.1067 176.5292 112 L 4.1034 7.8833 121.5823 58.1151 42.5308 178.8632 113 V 3.8160 8.2221 118.3144 66.0560 31.6104 177.8299 114 L 4.1087 7.9928 119.9435 57.9309 41.6784 178.7583 115 K 3.8687 7.9966 118.8176 58.5249 32.0996 176.6226 116 Y 4.7382 7.6485 113.3071 57.5577 39.4041 174.6621 117 S 4.6125 7.5549 112.5448 57.0572 66.0172 173.9284 118 G 3.5881 8.6006 107.5960 47.1799 0.0000 172.7895 119 F 4.7214 7.4735 116.5463 56.7158 42.9902 173.6458 120 T 4.2122 8.7275 114.7870 63.7582 67.5244 174.5005 121 T 4.4233 7.6358 110.7371 59.8224 70.4917 173.8433 122 L 4.0183 8.2001 126.1230 54.5530 42.4856 176.6072 123 R 4.4385 8.1036 125.0554 53.2707 31.3597 173.9441 124 P 4.2179 0.0000 0.0000 65.2990 31.5988 179.0471 125 S 4.1804 8.1020 110.9568 60.2216 62.8981 174.4801 126 A 4.4974 8.0001 122.7171 52.3350 19.3333 176.5459 127 M 4.9071 7.8234 115.5831 53.1751 34.7362 176.0668 128 D 4.7620 9.0580 122.6871 51.7855 42.4448 175.7907 129 P 4.2246 0.0000 0.0000 65.9520 31.1107 178.5760 130 E 3.9744 8.2248 117.4349 59.1124 29.5631 178.5650 131 Q 4.0238 9.2086 118.5562 59.2372 28.8426 178.4765 132 C 4.0729 8.2358 117.7463 62.8941 28.1763 176.1404 133 L 4.0255 8.0431 121.6005 58.3946 41.6553 178.8138 134 N 4.2758 8.2834 116.6794 55.8695 38.2690 177.2431 135 F 3.6732 7.7990 122.3102 61.2060 39.5243 177.2444 136 L 3.8473 7.9241 118.5621 57.5848 41.4075 179.5744 137 L 3.7781 8.3163 119.3369 57.9504 41.5953 179.2691 138 D 4.3336 8.1864 119.1037 57.4260 40.2540 178.8027 139 I 3.6950 7.8032 119.1628 63.7214 37.8139 177.7480 140 A 4.0421 8.0228 121.9224 54.8845 17.7832 179.5056 141 K 3.9527 7.9999 118.4244 59.6062 32.1504 178.8832 142 I 3.9104 7.6378 111.1082 62.7540 37.6447 176.5502 143 Y 4.6866 7.2922 116.6111 57.0365 39.0017 176.1258 144 E 4.7578 7.6947 121.0645 54.2629 28.4121 175.5590 145 L 4.1181 8.8803 124.0130 56.7312 42.3201 177.7083 146 S 4.4179 7.0010 109.1965 57.5882 64.9426 175.0733 147 D 4.3389 7.3278 122.3678 54.2012 45.1695 175.7914 148 N 5.2231 8.6433 126.1251 52.9248 38.3334 173.3287 149 F 3.5479 9.4278 117.5745 58.7835 37.9358 176.7585 *150 F 4.0373 8.0665 123.5159 57.0656 38.4550 177.0589 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 4 M 8.30 4.44 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.60 0.00 5 S 8.35 4.24 0.00 4.16 4.12 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 6 L 9.46 4.63 0.00 1.86 1.57 1.04 0.85 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 7 Y 9.45 5.16 0.00 3.01 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 8 R 8.89 5.24 0.00 1.90 1.74 0.00 3.17 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 9 L 9.36 5.29 0.00 1.70 1.50 0.55 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 10 I 8.88 5.15 1.90 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 1.32 0.66 0.92 0.00 0.00 11 Y 8.73 5.48 0.00 3.17 2.94 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 12 S 9.38 5.39 0.00 4.02 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 13 S 9.02 5.03 0.00 4.18 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 0.00 14 Q 8.87 4.81 0.00 1.68 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.41 0.00 15 G 9.26 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 0.00 0.00 0.00 0.00 16 I 8.65 4.29 1.94 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 1.53 0.87 0.98 0.00 0.00 17 P 0.00 4.37 0.00 2.09 2.06 0.00 3.87 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 18 N 8.84 4.18 0.00 2.82 2.87 0.00 0.00 7.05 7.78 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 19 L 7.49 3.92 0.00 1.80 1.58 1.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 8.40 4.59 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.85 0.00 0.00 0.00 0.00 0.00 2.31 1.93 0.00 21 P 0.00 4.32 0.00 2.15 2.15 0.00 3.58 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 22 Q 8.21 4.06 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 23 D 8.10 4.33 0.00 2.75 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 24 L 7.81 4.09 0.00 1.59 1.64 0.77 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 25 K 8.38 3.88 0.00 1.97 1.97 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.49 7.81 26 D 8.35 4.39 0.00 2.86 2.70 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 27 I 7.88 3.64 1.99 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 0.81 0.00 0.00 28 L 7.90 4.40 0.00 1.76 1.97 1.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.35 3.99 0.00 2.19 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 2.35 2.49 0.00 30 S 8.03 4.08 0.00 3.98 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 31 S 8.24 3.82 0.00 3.42 4.09 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 0.00 0.00 0.00 0.00 32 Q 8.29 4.11 0.00 2.28 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 7.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 33 R 7.68 4.01 0.00 2.05 2.11 0.00 3.28 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 34 N 8.07 4.56 0.00 2.61 2.71 0.00 0.00 7.04 6.45 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 35 N 7.92 4.13 0.00 2.05 2.45 0.00 0.00 7.08 7.91 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 36 P 0.00 4.27 0.00 2.18 2.17 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 2.31 2.31 0.00 37 A 7.93 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 38 N 7.68 4.63 0.00 2.77 2.82 0.00 0.00 6.99 7.37 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 39 G 7.61 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 0.00 0.00 0.00 40 I 8.12 5.03 1.85 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 1.10 0.78 0.88 0.00 0.00 41 T 9.62 4.98 4.58 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 42 G 7.08 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 43 L 7.56 4.01 0.00 1.32 1.07 0.70 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.18 5.15 0.00 2.04 1.56 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 45 C 9.68 5.45 0.00 3.09 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 46 Y 9.30 4.95 0.00 3.00 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 47 S 8.81 4.93 0.00 3.71 3.50 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 0.00 0.00 0.00 48 K 7.77 3.15 0.00 1.81 1.63 0.00 1.85 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.03 7.81 49 P 0.00 4.69 0.00 2.09 2.27 0.00 3.52 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.92 0.00 50 A 8.03 4.94 1.19 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 51 F 9.01 5.42 0.00 3.23 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 52 L 9.16 5.09 0.00 1.70 1.50 0.95 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.57 5.06 0.00 1.94 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.66 0.00 54 V 8.57 4.97 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 0.12 0.00 0.00 0.93 0.00 0.00 55 L 9.23 5.35 0.00 1.62 1.64 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 56 E 10.45 5.18 0.00 2.04 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 2.37 2.38 0.00 57 G 8.05 4.08 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 0.00 0.00 0.00 58 E 8.09 4.46 0.00 2.07 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 2.37 2.52 0.00 59 C 9.09 3.64 0.00 2.76 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 60 E 8.01 3.95 0.00 2.01 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 2.31 1.97 0.00 61 Q 7.57 4.17 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.60 2.66 0.00 62 V 8.19 3.60 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 1.07 0.00 0.00 1.07 0.00 0.00 63 N 8.24 4.40 0.00 3.07 2.88 0.00 0.00 6.65 7.13 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 64 E 8.27 3.91 0.00 2.11 1.93 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 2.28 2.48 0.00 65 T 8.08 3.76 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 1.16 0.00 0.00 66 Y 8.38 3.95 0.00 2.91 2.93 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 67 H 8.36 3.85 0.00 3.10 3.27 0.00 5.72 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 7.89 3.92 0.00 2.02 1.99 0.00 3.04 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 69 I 7.72 3.52 1.63 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 1.29 0.73 0.74 0.00 0.00 70 V 7.10 3.27 1.79 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 0.67 0.00 0.00 0.12 0.00 0.00 71 Q 7.59 4.15 0.00 2.16 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 72 D 7.69 4.28 0.00 2.74 2.51 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 73 E 8.72 4.36 0.00 2.03 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 2.23 1.90 0.00 74 R 8.92 4.44 0.00 1.92 2.02 0.00 3.06 0.00 0.00 3.20 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 75 H 7.83 5.40 0.00 3.53 3.47 0.00 5.56 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 76 H 9.01 4.74 0.00 3.33 3.45 0.00 5.61 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.77 3.99 0.00 3.99 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 78 P 0.00 4.62 0.00 2.26 1.96 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.86 0.00 79 Q 9.53 4.60 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.04 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 80 I 8.56 4.12 1.85 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 0.91 0.44 0.81 0.00 0.00 81 I 8.75 4.16 2.03 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 1.14 0.55 0.93 0.00 0.00 82 E 7.90 4.77 0.00 2.02 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 0.00 2.29 2.30 0.00 83 C 8.45 5.23 0.00 2.96 2.78 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 84 M 8.74 4.49 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 85 P 0.00 4.07 0.00 1.75 1.79 0.00 3.35 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.64 0.00 86 I 8.30 4.58 1.85 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 1.35 0.66 0.87 0.00 0.00 87 R 8.69 4.10 0.00 1.78 1.99 0.00 3.37 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 88 R 7.25 4.53 0.00 1.65 1.73 0.00 2.90 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 89 R 8.09 4.38 0.00 1.72 2.49 0.00 3.38 0.00 0.00 3.58 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.68 0.00 90 N 9.71 5.01 0.00 2.45 2.54 0.00 0.00 6.73 7.10 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 91 F 9.32 4.67 0.00 3.06 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 92 E 8.74 3.81 0.00 1.68 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 0.00 1.88 1.86 0.00 93 V 7.58 4.66 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 1.05 0.00 0.00 0.91 0.00 0.00 94 W 8.80 4.72 0.00 3.67 3.07 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 95 S 7.69 3.80 0.00 3.58 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 96 M 8.64 4.15 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.56 0.00 97 Q 7.69 4.07 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 98 A 8.26 4.46 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 99 I 8.24 4.14 1.81 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.66 0.65 0.00 0.00 100 T 8.36 4.99 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 0.00 101 V 8.70 4.43 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 1.10 0.00 0.00 1.12 0.00 0.00 102 N 8.87 4.87 0.00 2.82 2.81 0.00 0.00 6.32 8.80 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 0.00 103 D 8.71 4.61 0.00 2.64 2.70 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 0.00 104 L 7.59 4.65 0.00 1.66 1.66 0.93 0.90 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 0.00 105 S 7.62 4.39 0.00 4.02 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 0.00 106 T 8.34 4.08 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 1.23 0.00 0.00 107 E 8.83 3.95 0.00 1.98 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 2.42 2.33 0.00 108 Q 8.02 3.94 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.91 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 109 V 7.77 3.68 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 1.20 0.00 0.00 1.15 0.00 0.00 110 K 8.37 4.03 0.00 2.01 1.90 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.51 1.66 7.81 111 T 8.32 3.93 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 1.21 0.00 0.00 112 L 7.88 4.10 0.00 1.88 2.08 1.12 1.02 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 0.00 113 V 8.22 3.82 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 0.96 0.00 0.00 1.12 0.00 0.00 114 L 7.99 4.11 0.00 2.06 1.81 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 115 K 8.00 3.87 0.00 1.76 1.80 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.31 1.10 7.81 116 Y 7.65 4.74 0.00 3.11 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 0.00 117 S 7.55 4.61 0.00 4.07 3.82 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 0.00 0.00 0.00 118 G 8.60 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 0.00 119 F 7.47 4.72 0.00 2.96 2.93 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 0.00 120 T 8.73 4.21 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 1.25 0.00 0.00 121 T 7.64 4.42 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 1.16 0.00 0.00 122 L 8.20 4.02 0.00 1.41 1.48 0.09 0.73 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 0.00 123 R 8.10 4.44 0.00 1.84 1.77 0.00 3.11 0.00 0.00 3.18 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.70 0.00 124 P 0.00 4.22 0.00 2.17 2.10 0.00 3.56 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 125 S 8.10 4.18 0.00 3.99 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 0.00 126 A 8.00 4.50 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 0.00 127 M 7.82 4.91 0.00 2.02 1.96 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.44 0.00 128 D 9.06 4.76 0.00 2.89 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 0.00 129 P 0.00 4.22 0.00 2.19 2.17 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.35 0.00 130 E 8.22 3.97 0.00 2.05 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 2.42 2.43 0.00 131 Q 9.21 4.02 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.64 2.54 0.00 132 C 8.24 4.07 0.00 3.15 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 0.00 133 L 8.04 4.03 0.00 1.88 1.81 1.12 0.61 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 0.00 134 N 8.28 4.28 0.00 2.52 2.48 0.00 0.00 6.70 8.97 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 0.00 135 F 7.80 3.67 0.00 2.81 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 0.00 136 L 7.92 3.85 0.00 2.10 1.90 0.99 0.80 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 0.00 137 L 8.32 3.78 0.00 1.72 1.55 0.80 0.12 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 0.00 138 D 8.19 4.33 0.00 2.81 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 0.00 139 I 7.80 3.69 1.19 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 1.44 1.49 0.60 0.00 0.00 140 A 8.02 4.04 1.46 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 0.00 0.00 0.00 141 K 8.00 3.95 0.00 1.94 1.96 0.00 1.48 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.45 7.81 142 I 7.64 3.91 1.69 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 1.77 0.43 0.89 0.00 0.00 143 Y 7.29 4.69 0.00 3.10 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 0.00 144 E 7.69 4.76 0.00 1.92 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 2.19 2.23 0.00 145 L 8.88 4.12 0.00 1.61 1.66 0.83 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 146 S 7.00 4.42 0.00 3.74 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 0.00 147 D 7.33 4.34 0.00 2.71 2.40 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 0.00 148 N 8.64 5.22 0.00 2.58 2.65 0.00 0.00 7.31 7.02 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 0.00 149 F 9.43 3.55 0.00 3.18 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 *150 F 8.07 4.04 0.00 2.49 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.