NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8963 8.1400 114.7988 57.7877 64.6511 174.1825 2 L 4.0244 8.7325 123.5901 58.1062 41.7853 177.9766 3 L 4.0626 8.7665 119.8358 57.8129 41.9825 178.7194 4 E 4.0312 8.1477 118.1927 59.3451 29.3044 179.0766 5 F 4.6548 8.8460 121.2279 61.5117 39.4838 177.3947 6 G 3.5344 8.4748 105.4403 47.6222 0.0000 175.6243 7 K 4.0224 8.2420 122.0329 59.3937 32.2486 178.5615 8 M 4.3022 8.4530 118.7446 58.7806 32.0855 178.2273 9 I 3.6145 7.9671 120.2178 64.2662 37.1735 178.1670 10 L 4.3659 7.8616 122.3491 57.7299 41.7155 178.6868 11 E 3.9698 8.2410 117.6351 59.5198 29.4983 178.8196 12 E 4.1178 8.2346 118.2852 58.8688 29.8986 177.9474 13 T 4.4558 8.1287 107.2907 60.7859 70.4292 175.7100 14 G 3.8096 8.2791 109.7851 45.6757 0.0000 173.1445 *16 K 4.3442 7.4559 117.8847 55.8394 33.4859 175.1321 17 L 4.2491 8.2003 122.4298 54.4489 42.4960 177.9067 18 A 4.0159 8.9158 126.6499 54.8428 18.5447 177.1200 19 I 4.5952 7.6746 116.7397 59.5540 37.9112 173.6718 20 P 4.9106 0.0000 0.0000 61.7774 31.8011 176.4714 21 S 4.2988 7.9923 115.9112 60.8310 62.7459 174.5627 22 Y 4.7522 8.2200 114.7461 57.3721 39.0131 176.1210 23 S 4.7231 8.1641 115.7534 59.5545 64.0292 175.3984 24 S 4.5694 7.8736 116.0924 57.9889 63.4827 172.1773 25 Y 4.6957 8.2305 122.3846 58.1187 40.1152 175.5204 26 G 3.4436 8.1620 116.7167 46.7334 0.0000 173.0382 27 C 4.5354 9.3332 115.6382 58.0035 40.9222 174.5778 28 Y 4.3406 8.5203 114.5574 57.4838 39.3647 174.8828 29 C 4.7410 8.4301 118.4540 58.5940 40.1224 173.6980 30 G 4.4977 10.7182 113.5903 46.8968 0.0000 173.5732 31 W 4.9265 7.6256 119.3511 54.8110 30.1679 175.1201 32 G 3.9831 7.7811 106.1855 45.3770 0.0000 172.4908 33 G 4.1362 7.8806 114.3535 45.4333 0.0000 173.7002 34 K 4.7774 7.7993 116.7662 54.9847 35.7846 175.5568 35 G 4.2435 9.1537 106.2194 44.9484 0.0000 173.4060 36 T 4.2280 8.0864 115.9510 61.7195 69.0772 173.5509 37 P 4.6408 0.0000 0.0000 63.0787 31.8738 176.8399 38 K 3.7929 8.7146 121.2720 58.9800 32.4067 176.1231 39 D 4.4113 7.1627 115.6138 51.5822 41.8526 175.7007 40 A 4.0153 8.5114 119.8082 55.7583 18.0817 179.8294 41 T 4.0231 8.0704 113.8528 67.0381 68.5295 176.1440 42 D 4.6071 8.9853 120.1741 57.5143 41.1721 178.5026 43 R 3.9486 8.2870 118.7554 59.1815 29.9327 178.1910 44 C 4.1923 8.3499 116.5470 60.4312 39.0623 175.6447 45 C 4.3567 8.2231 117.8666 59.7591 40.9931 175.7763 46 F 3.6586 8.5539 122.6300 61.3426 38.8559 177.4146 47 V 3.4849 8.0629 117.8171 66.1494 31.2393 177.4017 48 H 3.8454 8.2951 118.1001 59.1604 29.3474 176.9687 49 D 4.1346 8.2161 121.0192 57.5414 40.6470 178.0891 50 C 4.0753 7.8078 116.9378 59.9953 39.8991 175.4167 51 C 4.1294 7.9334 119.3443 59.9854 44.5761 174.9809 52 Y 4.3378 8.0442 118.5665 61.0081 37.1707 178.7622 53 G 3.6117 8.0857 105.8736 47.4199 0.0000 175.0415 54 N 4.5304 7.9464 117.4740 54.5763 39.7410 174.9411 55 L 4.8418 7.5352 119.5152 52.7205 42.0133 175.1271 56 P 4.1784 0.0000 0.0000 65.7075 32.3396 178.4487 *59 D 4.9219 7.8892 117.1836 54.3129 42.5043 175.3263 *61 C 5.2106 7.6442 116.0189 57.3303 42.8741 172.9496 *67 N 4.8868 8.3131 116.4492 52.8891 38.4316 173.7401 68 P 4.1014 0.0000 0.0000 64.8204 32.2518 180.0037 69 K 4.0727 8.0783 119.2403 58.5339 32.2161 178.4838 70 S 4.4676 7.7846 111.0651 58.7126 64.8997 174.0333 71 D 4.4256 8.0891 121.2424 53.8573 41.3871 175.3701 72 R 4.4968 8.4088 125.7470 54.9520 31.5262 175.1075 73 Y 4.9413 7.7741 119.3077 55.0257 41.0583 174.6985 74 K 4.9630 8.5491 119.1367 55.0604 35.0056 174.9978 75 Y 5.5262 8.2805 120.4908 55.6972 41.5785 173.2970 76 K 4.6924 9.2338 118.7372 55.4072 36.9897 174.6698 77 R 5.1415 8.5426 118.5581 54.4549 32.4655 176.5066 78 V 4.0568 8.9087 124.0992 61.4164 32.3956 174.1573 79 N 4.4208 9.7333 124.5352 53.8894 35.6537 173.3160 80 G 4.2522 8.1860 108.1256 45.3185 0.0000 172.3217 81 A 4.2646 7.7853 121.5310 51.5872 19.6819 177.0495 82 I 4.5122 8.3310 123.1129 60.9374 38.3980 175.6231 83 V 4.3396 9.0024 127.3530 60.9468 33.9010 173.9735 84 C 4.8204 8.9007 126.3738 57.2667 40.5331 173.4151 85 E 4.7360 8.9211 123.6029 54.4813 31.3357 176.0227 86 K 4.4263 7.9098 123.1416 55.8741 33.5652 175.3877 *88 G 4.2256 8.2895 115.0869 45.3016 0.0000 172.8900 89 T 4.1972 8.7185 114.8436 61.1147 70.9725 175.8369 90 S 4.0908 8.5241 117.3823 62.0767 62.7604 177.6810 91 C 4.2344 8.1315 118.4366 60.1484 40.5584 175.8786 92 E 3.9819 8.1548 120.0291 59.4865 28.5578 179.1968 93 N 4.2706 8.3269 116.4997 56.4977 38.6265 177.7740 94 R 3.9374 7.9637 119.4029 59.0573 30.1297 179.1389 95 I 3.6086 7.9822 120.0516 64.4700 37.1091 177.4980 96 C 2.9190 7.9133 119.3302 59.4423 39.3795 175.5577 97 E 3.7928 7.9546 119.9863 59.3877 28.9742 178.7196 98 C 4.1576 8.0360 116.6331 60.0593 40.4860 175.9669 99 D 3.7814 7.9449 120.3781 56.9189 40.3860 178.4262 100 K 3.6641 8.1597 120.3815 59.6096 32.0234 178.4703 101 A 3.8620 7.7741 120.3948 55.1132 18.2431 179.4739 102 A 3.4806 7.7633 118.9680 54.9754 18.3934 179.7153 103 A 3.8625 8.1403 119.4941 55.3054 18.3807 179.8863 104 I 3.6156 7.7515 118.3271 64.6338 36.9508 177.7936 105 C 4.1862 8.0539 118.3720 59.6953 37.8760 175.2826 106 F 4.6088 8.1450 119.7452 60.6887 37.9282 177.5540 107 R 3.9520 8.1431 118.3059 59.5907 29.6926 178.3246 108 Q 4.1923 8.3764 118.0032 57.9891 29.2299 176.2040 109 N 5.0926 7.7241 115.4565 52.9270 39.5740 176.2083 110 L 4.1788 7.8769 121.2615 57.7735 41.7787 179.2369 111 N 4.4913 8.3184 114.9726 55.0159 37.2431 175.4013 112 T 4.5934 7.8088 106.8804 60.8879 69.2811 173.4252 113 Y 4.1320 7.8345 124.4899 58.5462 39.4065 175.2840 114 S 4.9788 8.7135 122.1922 56.4306 66.0093 175.4182 115 K 4.1385 8.7881 125.2902 58.8083 32.0836 179.2082 116 K 3.8691 7.7144 117.0531 59.3438 32.5181 177.1006 117 Y 4.3837 7.2060 116.1399 58.1886 38.1336 175.3390 118 M 4.3892 7.5544 120.7549 56.3761 32.5576 175.9970 119 L 3.6618 8.2649 120.9601 55.7459 39.9934 174.6743 120 Y 4.1915 7.7020 119.1376 56.8086 39.5822 173.5942 121 P 4.3572 0.0000 0.0000 62.0853 32.3902 176.7764 122 D 4.2328 8.8224 122.1091 57.2245 41.2348 178.0697 *124 F 4.7191 7.8394 111.4871 56.4852 39.5578 175.2814 125 L 3.8488 6.6745 119.3246 54.8168 41.2644 176.1368 126 C 4.9000 8.0473 117.4929 54.9030 35.1352 173.2107 127 K 4.6967 8.3609 123.2070 55.3759 35.7520 176.8928 128 G 4.1761 8.8523 108.4677 45.9983 0.0000 172.6682 129 E 4.5600 8.3848 121.3866 55.4232 30.4759 176.0070 130 L 4.7300 8.4051 123.5651 52.9512 44.6146 176.2271 131 K 4.1572 8.4883 125.6523 56.5192 32.9791 177.8974 *133 C 4.9241 8.5490 118.2134 57.5073 41.5388 173.7883 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 1 S 8.14 4.90 0.00 4.13 4.11 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 2 L 8.73 4.02 0.00 1.92 1.82 1.21 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.77 4.06 0.00 1.76 1.73 0.95 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 4 E 8.15 4.03 0.00 2.07 1.90 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 2.25 2.23 0.00 5 F 8.85 4.65 0.00 3.40 3.38 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 6 G 8.47 3.53 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 7 K 8.24 4.02 0.00 1.91 2.07 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.55 1.50 7.81 8 M 8.45 4.30 0.00 2.39 2.21 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 9 I 7.97 3.61 1.80 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 -0.01 0.62 0.00 0.00 10 L 7.86 4.37 0.00 1.77 1.82 0.89 0.64 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 11 E 8.24 3.97 0.00 2.23 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 2.41 2.54 0.00 12 E 8.23 4.12 0.00 2.11 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 0.00 2.48 2.37 0.00 13 T 8.13 4.46 4.27 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 1.23 0.00 0.00 14 G 8.28 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 0.00 0.00 0.00 *16 K 7.46 4.34 0.00 1.90 1.62 0.00 1.37 0.00 0.00 0.91 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.18 1.26 7.81 17 L 8.20 4.25 0.00 1.70 1.73 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.92 4.02 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 19 I 7.67 4.60 1.91 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 1.54 0.70 0.95 0.00 0.00 20 P 0.00 4.91 0.00 2.18 2.15 0.00 3.36 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.92 0.00 21 S 7.99 4.30 0.00 3.80 3.26 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 22 Y 8.22 4.75 0.00 2.80 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 23 S 8.16 4.72 0.00 4.11 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 24 S 7.87 4.57 0.00 4.02 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 25 Y 8.23 4.70 0.00 2.99 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 26 G 8.16 3.44 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 0.00 27 C 9.33 4.54 0.00 2.89 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 28 Y 8.52 4.34 0.00 3.41 3.28 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 29 C 8.43 4.74 0.00 3.54 3.55 0.00 0.00 0.00 0.00 0.00 0.00 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 G 10.72 4.50 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 0.00 0.00 0.00 31 W 7.63 4.93 0.00 3.28 3.26 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 32 G 7.78 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 0.00 0.00 0.00 33 G 7.88 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 0.00 0.00 0.00 0.00 34 K 7.80 4.78 0.00 1.97 1.80 0.00 1.65 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.32 1.51 7.81 35 G 9.15 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.09 4.23 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 1.15 0.00 0.00 37 P 0.00 4.64 0.00 1.94 2.05 0.00 3.47 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 38 K 8.71 3.79 0.00 0.79 0.74 0.00 1.68 0.00 0.00 1.38 0.00 0.00 2.74 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.89 0.21 7.81 39 D 7.16 4.41 0.00 2.83 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 40 A 8.51 4.02 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 41 T 8.07 4.02 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 0.97 0.00 0.00 42 D 8.99 4.61 0.00 3.01 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 43 R 8.29 3.95 0.00 2.08 1.95 0.00 3.10 0.00 0.00 3.06 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.82 0.00 44 C 8.35 4.19 0.00 3.28 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 45 C 8.22 4.36 0.00 3.38 3.52 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 0.00 0.00 0.00 0.00 46 F 8.55 3.66 0.00 2.62 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 47 V 8.06 3.48 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 0.96 0.00 0.00 1.05 0.00 0.00 48 H 8.30 3.85 0.00 3.10 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.22 4.13 0.00 2.62 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 50 C 7.81 4.08 0.00 2.92 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 51 C 7.93 4.13 0.00 2.95 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 52 Y 8.04 4.34 0.00 3.03 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 53 G 8.09 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.95 4.53 0.00 2.88 2.86 0.00 0.00 6.77 7.96 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 55 L 7.54 4.84 0.00 1.59 1.50 0.86 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.18 0.00 2.19 2.28 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.96 0.00 *59 D 7.89 4.92 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 *61 C 7.64 5.21 0.00 3.00 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 *67 N 8.31 4.89 0.00 2.73 2.77 0.00 0.00 7.37 8.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.10 0.00 0.81 1.24 0.00 3.47 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.95 0.00 69 K 8.08 4.07 0.00 1.83 1.93 0.00 1.64 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.41 7.81 70 S 7.78 4.47 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 71 D 8.09 4.43 0.00 2.72 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.41 4.50 0.00 1.79 1.88 0.00 3.16 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 73 Y 7.77 4.94 0.00 3.08 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 74 K 8.55 4.96 0.00 1.76 1.90 0.00 1.63 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.36 7.81 75 Y 8.28 5.53 0.00 3.12 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 76 K 9.23 4.69 0.00 1.79 1.91 0.00 1.28 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.43 7.81 77 R 8.54 5.14 0.00 1.72 1.91 0.00 3.39 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 78 V 8.91 4.06 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 1.02 0.00 0.00 0.95 0.00 0.00 79 N 9.73 4.42 0.00 2.81 2.78 0.00 0.00 7.27 7.65 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 80 G 8.19 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 0.00 0.00 0.00 81 A 7.79 4.26 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 82 I 8.33 4.51 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 1.28 0.61 0.78 0.00 0.00 83 V 9.00 4.34 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 1.01 0.00 0.00 0.96 0.00 0.00 84 C 8.90 4.82 0.00 2.96 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 85 E 8.92 4.74 0.00 2.04 1.90 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 2.31 2.46 0.00 86 K 7.91 4.43 0.00 1.80 1.70 0.00 1.79 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.40 7.81 *88 G 8.29 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 89 T 8.72 4.20 4.24 0.00 0.00 0.00 0.00 0.00 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 90 S 8.52 4.09 0.00 3.87 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 91 C 8.13 4.23 0.00 2.94 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 92 E 8.15 3.98 0.00 2.30 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 0.00 2.54 2.53 0.00 93 N 8.33 4.27 0.00 2.85 2.83 0.00 0.00 7.06 7.18 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 94 R 7.96 3.94 0.00 1.82 1.92 0.00 3.10 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 95 I 7.98 3.61 1.99 0.00 0.00 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 1.16 0.71 0.98 0.00 0.00 96 C 7.91 2.92 0.00 2.21 2.89 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 97 E 7.95 3.79 0.00 2.06 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 2.43 2.42 0.00 98 C 8.04 4.16 0.00 3.17 2.92 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 99 D 7.94 3.78 0.00 2.68 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 0.00 100 K 8.16 3.66 0.00 1.62 1.88 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.38 7.81 101 A 7.77 3.86 1.27 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 0.00 0.00 102 A 7.76 3.48 1.05 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 0.00 103 A 8.14 3.86 1.36 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 0.00 104 I 7.75 3.62 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 1.38 0.71 0.88 0.00 0.00 105 C 8.05 4.19 0.00 2.91 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 0.00 106 F 8.15 4.61 0.00 3.02 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 0.00 107 R 8.14 3.95 0.00 1.97 2.14 0.00 3.17 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 1.64 1.71 0.00 108 Q 8.38 4.19 0.00 2.20 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 109 N 7.72 5.09 0.00 3.01 2.86 0.00 0.00 6.83 6.60 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 0.00 110 L 7.88 4.18 0.00 1.79 1.75 0.98 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.32 4.49 0.00 2.87 3.00 0.00 0.00 5.80 7.71 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 0.00 112 T 7.81 4.59 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 1.27 0.00 0.00 113 Y 7.83 4.13 0.00 2.98 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 0.00 114 S 8.71 4.98 0.00 3.71 3.42 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 0.00 115 K 8.79 4.14 0.00 1.83 1.89 0.00 1.72 0.00 0.00 1.93 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.65 7.81 116 K 7.71 3.87 0.00 1.62 1.71 0.00 1.24 0.00 0.00 1.40 0.00 0.00 2.53 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.49 0.39 7.81 117 Y 7.21 4.38 0.00 1.60 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 0.00 0.00 0.00 118 M 7.55 4.39 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.66 0.00 119 L 8.26 3.66 0.00 1.83 1.74 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 7.70 4.19 0.00 2.98 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 0.00 121 P 0.00 4.36 0.00 2.14 2.01 0.00 2.63 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 1.97 1.99 0.00 122 D 8.82 4.23 0.00 2.68 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 *124 F 7.84 4.72 0.00 3.22 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 0.00 125 L 6.67 3.85 0.00 1.02 1.49 0.31 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 126 C 8.05 4.90 0.00 3.03 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 0.00 127 K 8.36 4.70 0.00 1.78 1.67 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.39 7.81 128 G 8.85 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 0.00 0.00 0.00 129 E 8.38 4.56 0.00 2.01 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 2.36 2.43 0.00 130 L 8.41 4.73 0.00 1.63 1.64 0.70 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.49 4.16 0.00 1.90 1.75 0.00 1.77 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.57 1.50 7.81 *133 C 8.55 4.92 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.