NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.4767 8.1933 115.4120 58.0152 64.7152 174.7145 5 S 3.9720 8.4535 118.7125 60.7400 62.7325 175.3501 6 S 4.1873 8.7683 116.9141 61.3243 62.5877 175.8915 7 T 3.8825 7.7741 118.1606 66.4064 68.2548 176.4362 8 K 3.8709 8.1883 121.6416 59.3759 32.1317 178.6548 9 K 3.9151 7.8976 119.5333 59.8470 32.0861 178.9688 10 T 3.8804 7.7958 115.9061 66.4288 68.2794 176.4061 11 Q 3.9367 8.3433 121.7688 59.3893 29.0731 178.5042 12 L 4.0426 8.1695 120.0825 57.7394 41.5365 179.6586 13 Q 3.9877 8.1005 118.0068 59.0463 28.6484 178.6456 14 L 4.0462 8.0398 119.9569 58.0596 41.6686 179.5856 15 E 3.9627 8.6222 118.8401 59.6013 29.3570 178.9333 16 H 4.1696 8.4644 118.6248 58.8863 29.9070 177.1270 17 L 3.9644 8.4157 122.7487 57.9610 41.8819 178.4751 18 L 3.9602 8.1882 120.6024 58.3067 41.9144 178.7996 19 L 3.9403 7.9713 120.0113 58.2037 42.0197 178.4980 20 D 4.3990 8.2717 118.8516 57.5109 40.7591 178.9462 21 L 4.0280 7.9919 119.3462 57.8859 41.5985 179.4398 22 Q 4.0272 8.3962 118.2820 59.4062 28.5628 179.0426 23 M 4.1326 8.3610 119.9584 58.2396 31.9486 178.9480 24 I 3.6814 7.7739 120.0103 64.2036 37.3290 177.9109 25 L 3.9028 7.9902 121.1892 58.4006 41.6716 178.3329 26 N 4.3518 8.3700 115.8530 56.8089 38.8911 176.5754 27 G 3.7797 8.0910 105.8275 48.0548 0.0000 175.4801 28 I 4.1226 8.1538 121.6658 62.1098 37.4215 175.4093 29 N 4.5928 7.8437 118.2869 51.1621 38.1346 172.1163 *34 P 4.3656 0.0000 0.0000 61.9736 34.0290 178.7135 35 K 4.1365 7.8316 120.7370 59.3760 32.8271 178.9303 36 L 3.9442 7.5198 121.3387 58.6153 41.8245 178.9842 37 T 3.9628 7.8227 107.6821 64.8509 69.1173 176.2160 38 R 4.0837 7.9621 120.5487 59.1829 30.2555 178.3719 39 M 4.1218 8.1002 118.1373 58.4764 32.0257 177.6810 40 L 4.3855 7.8578 117.2023 56.1622 41.9385 177.4734 41 T 4.2697 7.6651 108.1341 61.2758 69.5181 174.4084 42 F 4.2979 7.9452 125.3037 57.1836 39.1603 174.9564 43 K 4.6266 7.7399 127.5832 55.7204 33.4489 176.3957 44 F 4.7495 9.2371 120.8761 55.7923 42.8564 173.9300 45 Y 4.6756 9.6099 120.1285 57.7861 38.7951 174.9486 46 M 5.1838 8.8921 122.8999 52.7905 35.2845 173.6919 47 P 4.7637 0.0000 0.0000 62.3903 32.5066 176.6483 48 K 4.1575 9.2056 122.7636 58.7585 32.1798 177.6344 49 K 4.4711 7.5155 114.6728 55.1042 35.3514 176.2709 50 A 4.3556 8.0656 123.7689 52.1115 19.4899 175.6754 51 T 4.6903 8.8816 109.6929 61.5820 70.9358 173.8164 52 E 4.8256 7.9498 120.2363 53.5314 33.4261 176.5151 53 L 4.2778 8.5126 119.8457 58.0156 41.6356 179.9358 54 K 3.9758 7.9910 118.1850 60.1742 32.3852 178.1832 55 H 4.3044 7.8644 115.9061 57.1569 28.6078 176.7322 56 L 3.8236 8.1285 121.7298 56.1907 41.4528 178.5913 57 Q 4.0214 8.0254 120.3314 59.3204 28.7544 177.3509 58 C 4.4444 8.2865 117.0377 59.5993 41.5585 175.5233 59 L 3.7326 7.1396 121.5156 57.6017 41.6691 177.8980 60 E 3.8739 7.9288 119.3076 59.7246 29.3117 178.8663 61 E 4.1991 8.0631 115.7197 58.4001 29.8344 178.0239 62 E 4.6666 8.1783 117.5327 56.3843 29.9959 177.7211 63 L 4.1432 7.9064 121.5427 57.3761 41.6468 179.1168 64 K 3.9371 8.0695 119.2535 59.1780 32.2273 176.6898 65 P 4.4102 0.0000 0.0000 65.6188 31.1273 178.1696 66 L 4.2087 8.1586 118.8802 58.3410 41.8924 178.6446 67 E 3.9293 8.3744 119.1488 59.1908 29.4950 178.3349 68 E 3.8724 8.3105 119.5326 59.3202 29.6802 179.2126 69 V 3.0195 7.6079 119.1876 64.5963 31.0398 178.3442 70 L 3.9865 7.4656 118.7182 57.3291 41.7261 178.7920 71 N 4.4334 8.1013 116.5246 56.5393 38.3552 177.3094 72 L 3.9996 7.9404 118.7928 57.2642 41.6378 178.4716 73 A 4.5478 7.1682 118.0993 51.8046 19.0817 177.7779 74 Q 4.0651 7.5368 120.4245 59.9413 29.3700 178.5807 75 S 4.4646 7.6014 109.3287 56.6450 61.4648 174.5771 *81 R 4.0175 7.4781 120.8149 55.9770 30.6834 173.7038 82 P 4.5483 0.0000 0.0000 65.5855 31.4421 177.8940 83 R 4.2774 7.9993 119.4591 58.8397 29.8500 177.8915 84 D 4.3255 7.9982 117.5439 57.2199 40.9527 178.3245 85 L 3.9474 7.3363 120.9973 58.4356 42.0781 179.0923 86 I 3.7218 8.4098 119.9990 64.3864 37.0030 178.4067 87 S 4.0759 8.2688 114.0394 61.3788 62.1937 175.9996 88 N 4.3111 8.2381 119.1545 56.3271 38.2542 177.3645 89 I 3.6586 7.8444 121.1852 64.3824 37.2344 177.8771 90 N 4.2326 8.2984 117.8710 56.6571 38.7905 176.8910 91 V 3.5342 7.7594 119.4245 66.1193 31.5822 177.9264 92 I 3.8422 7.7956 119.4097 64.5477 36.9365 178.5155 93 V 3.5787 8.1109 119.3281 66.0604 31.0402 178.0919 94 L 4.0106 7.6689 117.7076 57.6444 41.5261 178.9275 95 E 4.1231 7.9927 117.5273 59.4090 29.5200 179.2382 96 L 4.1586 8.0422 118.0005 56.7678 42.0311 178.1189 97 K 4.2270 7.6353 116.4874 56.0748 33.9013 176.1418 *102 T 4.1728 8.0397 114.9488 63.4430 69.3748 173.5688 103 F 4.8749 8.6600 127.0648 56.4950 42.5296 173.6163 104 M 4.2004 7.3345 126.1368 53.3635 32.6641 176.4916 105 C 4.4567 8.5827 125.0243 56.7795 42.9509 172.2921 106 E 4.6461 8.7979 125.4855 55.1274 31.0372 174.3688 107 Y 5.2442 8.5675 122.0426 55.9763 40.0305 175.7737 108 A 4.3214 8.9933 126.3647 52.2941 19.1813 177.7247 109 D 4.5354 8.5810 119.1158 56.4706 41.3065 176.9450 110 E 4.2838 8.0126 120.2571 55.1613 30.2959 175.9011 111 T 4.4085 8.1739 116.5538 61.4630 70.9583 172.5073 112 A 4.8095 8.9409 122.8347 50.8875 23.5253 175.7486 113 T 4.5263 8.9784 109.8217 61.2140 70.2176 176.0729 114 I 3.3564 8.6888 121.4540 64.3576 37.9206 178.2990 115 V 3.7052 7.7908 112.8185 64.3947 31.4302 178.2611 116 E 4.0517 8.0134 117.1648 59.0554 29.3175 179.1570 117 F 4.1853 8.4003 120.7982 61.2844 39.5075 177.1633 118 L 3.9683 8.4160 118.9512 58.0493 41.4211 179.2854 119 N 4.3287 8.2413 116.3024 56.2680 38.4396 177.4086 120 R 3.7052 8.0448 120.0890 59.2671 30.1096 178.6134 121 W 4.3436 7.7384 117.8390 59.1179 28.9985 178.8893 122 I 3.7915 7.9161 120.3118 64.6999 36.5290 178.3272 123 T 3.8449 8.0792 116.7041 66.5754 68.2797 176.0558 124 F 4.0588 8.1503 122.3671 61.6969 39.3252 176.7562 125 C 3.9591 8.5577 116.0377 63.1978 28.1387 176.3080 126 Q 3.9396 8.2102 119.3575 58.8833 28.0006 178.9945 127 S 3.9852 7.8923 113.3825 61.4316 62.7841 176.0531 128 I 3.6809 7.3395 122.3841 64.2849 36.9059 178.2544 129 I 3.6497 7.7672 120.8230 64.8054 36.7485 178.5227 130 S 4.1416 7.6746 114.1161 62.0028 62.6654 176.6945 131 T 4.1096 7.7852 117.7840 64.8668 68.5062 175.0381 132 L 4.7265 7.6263 120.6616 55.8051 41.0856 176.5778 133 T 4.1610 7.8601 120.8278 64.8836 68.7830 174.5856 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 S 8.19 4.48 0.00 4.02 4.06 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 5 S 8.45 3.97 0.00 3.97 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 6 S 8.77 4.19 0.00 3.89 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 7 T 7.77 3.88 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 1.20 0.00 0.00 8 K 8.19 3.87 0.00 1.87 2.01 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.50 7.81 9 K 7.90 3.92 0.00 2.06 2.00 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.49 7.81 10 T 7.80 3.88 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 1.21 0.00 0.00 11 Q 8.34 3.94 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 12 L 8.17 4.04 0.00 1.73 1.72 0.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 8.10 3.99 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 14 L 8.04 4.05 0.00 1.85 1.72 0.88 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.62 3.96 0.00 2.13 1.99 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 2.32 2.60 0.00 16 H 8.46 4.17 0.00 3.39 3.35 0.00 5.59 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 17 L 8.42 3.96 0.00 1.79 1.86 0.89 0.42 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 18 L 8.19 3.96 0.00 1.86 1.95 0.99 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.97 3.94 0.00 1.87 1.75 0.91 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 20 D 8.27 4.40 0.00 2.93 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 21 L 7.99 4.03 0.00 1.90 1.75 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.40 4.03 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 23 M 8.36 4.13 0.00 2.05 2.32 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.58 0.00 24 I 7.77 3.68 2.04 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 1.42 0.70 0.93 0.00 0.00 25 L 7.99 3.90 0.00 1.88 1.86 0.94 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.37 4.35 0.00 2.71 3.05 0.00 0.00 7.30 7.57 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 27 G 8.09 3.78 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 0.00 0.00 0.00 28 I 8.15 4.12 2.10 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 1.41 0.69 0.93 0.00 0.00 29 N 7.84 4.59 0.00 2.68 2.74 0.00 0.00 7.21 7.85 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 *34 P 0.00 4.37 0.00 2.24 1.96 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 35 K 7.83 4.14 0.00 2.02 2.07 0.00 1.41 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.67 1.56 7.81 36 L 7.52 3.94 0.00 1.84 1.72 0.94 0.68 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 37 T 7.82 3.96 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 1.22 0.00 0.00 38 R 7.96 4.08 0.00 2.02 2.04 0.00 3.14 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.69 0.00 39 M 8.10 4.12 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 40 L 7.86 4.39 0.00 1.88 1.75 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 41 T 7.67 4.27 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 1.23 0.00 0.00 42 F 7.95 4.30 0.00 3.03 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 43 K 7.74 4.63 0.00 1.30 1.43 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.25 7.81 44 F 9.24 4.75 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 45 Y 9.61 4.68 0.00 2.75 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 46 M 8.89 5.18 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.63 0.00 47 P 0.00 4.76 0.00 2.15 2.04 0.00 3.62 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 1.48 0.99 0.00 48 K 9.21 4.16 0.00 1.87 1.92 0.00 1.69 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.51 1.55 7.81 49 K 7.52 4.47 0.00 1.71 1.68 0.00 1.57 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.28 1.12 7.81 50 A 8.07 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.88 4.69 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 1.24 0.00 0.00 52 E 7.95 4.83 0.00 1.73 1.76 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 2.23 2.21 0.00 53 L 8.51 4.28 0.00 1.71 1.77 0.99 0.87 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 54 K 7.99 3.98 0.00 1.97 2.03 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.72 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.14 0.85 7.81 55 H 7.86 4.30 0.00 3.41 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.13 3.82 0.00 1.77 1.56 1.06 0.40 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 57 Q 8.03 4.02 0.00 2.32 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.80 0.00 0.00 0.00 0.00 0.00 2.60 2.61 0.00 58 C 8.29 4.44 0.00 3.61 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 59 L 7.14 3.73 0.00 0.27 0.84 0.23 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 60 E 7.93 3.87 0.00 2.03 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 2.33 2.37 0.00 61 E 8.06 4.20 0.00 2.26 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 2.42 2.56 0.00 62 E 8.18 4.67 0.00 2.55 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 2.65 3.15 0.00 63 L 7.91 4.14 0.00 1.80 1.75 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.07 3.94 0.00 1.85 1.84 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 65 P 0.00 4.41 0.00 2.25 2.02 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 66 L 8.16 4.21 0.00 1.99 1.97 0.87 1.04 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 67 E 8.37 3.93 0.00 2.11 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 2.31 2.32 0.00 68 E 8.31 3.87 0.00 2.15 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 2.22 0.00 69 V 7.61 3.02 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 0.91 0.00 0.00 0.66 0.00 0.00 70 L 7.47 3.99 0.00 1.73 1.75 0.93 1.43 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 71 N 8.10 4.43 0.00 2.92 2.83 0.00 0.00 6.98 6.29 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 72 L 7.94 4.00 0.00 1.63 1.67 0.68 0.67 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 73 A 7.17 4.55 1.24 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 74 Q 7.54 4.07 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.25 0.00 0.00 0.00 0.00 0.00 2.60 2.46 0.00 75 S 7.60 4.46 0.00 3.94 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 *81 R 7.48 4.02 0.00 1.89 1.93 0.00 3.18 0.00 0.00 3.55 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 82 P 0.00 4.55 0.00 2.30 2.28 0.00 3.77 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.03 0.00 83 R 8.00 4.28 0.00 1.94 1.99 0.00 3.43 0.00 0.00 3.30 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 84 D 8.00 4.33 0.00 2.73 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 85 L 7.34 3.95 0.00 1.95 1.67 0.94 1.08 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 86 I 8.41 3.72 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 1.64 0.71 1.00 0.00 0.00 87 S 8.27 4.08 0.00 3.97 3.99 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 88 N 8.24 4.31 0.00 2.93 2.80 0.00 0.00 7.04 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 I 7.84 3.66 2.01 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 1.41 0.79 0.87 0.00 0.00 90 N 8.30 4.23 0.00 2.90 2.95 0.00 0.00 6.90 7.58 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 91 V 7.76 3.53 2.21 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 0.96 0.00 0.00 0.95 0.00 0.00 92 I 7.80 3.84 1.97 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 1.36 0.60 0.96 0.00 0.00 93 V 8.11 3.58 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 1.00 0.00 0.00 0.85 0.00 0.00 94 L 7.67 4.01 0.00 1.84 1.71 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.99 4.12 0.00 2.13 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 0.00 2.34 2.61 0.00 96 L 8.04 4.16 0.00 1.75 1.77 0.97 0.82 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 97 K 7.64 4.23 0.00 1.83 1.83 0.00 1.55 0.00 0.00 1.73 0.00 0.00 3.18 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.51 7.81 *102 T 8.04 4.17 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 1.24 0.00 0.00 103 F 8.66 4.87 0.00 2.89 3.02 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 0.00 104 M 7.33 4.20 0.00 1.81 1.66 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.32 0.00 105 C 8.58 4.46 0.00 2.97 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 0.00 106 E 8.80 4.65 0.00 1.94 1.86 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 2.20 2.27 0.00 107 Y 8.57 5.24 0.00 2.94 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 0.00 108 A 8.99 4.32 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 0.00 109 D 8.58 4.54 0.00 2.72 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 0.00 110 E 8.01 4.28 0.00 1.92 1.87 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 2.26 2.34 0.00 111 T 8.17 4.41 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 0.46 0.00 0.00 112 A 8.94 4.81 1.30 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 0.00 0.00 113 T 8.98 4.53 4.34 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 1.36 0.00 0.00 114 I 8.69 3.36 2.02 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 1.57 1.06 0.97 0.00 0.00 115 V 7.79 3.71 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 0.90 0.00 0.00 0.97 0.00 0.00 116 E 8.01 4.05 0.00 2.27 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 0.00 2.36 2.36 0.00 117 F 8.40 4.19 0.00 3.18 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 0.00 118 L 8.42 3.97 0.00 1.75 1.74 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 119 N 8.24 4.33 0.00 2.87 2.86 0.00 0.00 6.72 6.95 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 0.00 120 R 8.04 3.71 0.00 1.84 1.71 0.00 2.93 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.94 0.00 121 W 7.74 4.34 0.00 3.22 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 0.00 122 I 7.92 3.79 2.05 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 1.56 0.76 0.93 0.00 0.00 123 T 8.08 3.84 4.44 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 1.18 0.00 0.00 124 F 8.15 4.06 0.00 3.02 3.34 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 0.00 125 C 8.56 3.96 0.00 3.26 3.02 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 0.00 126 Q 8.21 3.94 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.50 0.00 127 S 7.89 3.99 0.00 3.77 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 0.00 128 I 7.34 3.68 1.60 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.15 0.78 0.00 0.00 129 I 7.77 3.65 1.95 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 1.49 1.06 0.88 0.00 0.00 130 S 7.67 4.14 0.00 4.01 3.90 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 0.00 131 T 7.79 4.11 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 1.17 0.00 0.00 132 L 7.63 4.73 0.00 1.72 1.70 0.96 0.71 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 0.00 133 T 7.86 4.16 4.22 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 0.00 0.00 0.00 1.20 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.