NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 A 4.2780 8.2531 123.5800 52.0509 20.8267 177.7516 4 G 3.8983 7.8533 102.2030 45.4084 0.0000 170.9364 5 V 4.0867 8.1201 124.7078 65.1683 32.4489 179.9351 6 A 4.2020 8.2168 118.8456 55.6441 17.9074 178.6004 7 A 4.1680 7.5676 114.8695 53.1426 18.9144 178.4504 8 W 4.6834 8.5604 120.1870 57.9829 30.0150 178.8619 9 L 4.1137 7.7519 123.4018 59.0816 40.3253 182.6188 10 P 4.3397 0.0000 0.0000 65.5013 30.7600 178.4502 11 F 4.4232 7.5654 116.4119 60.0565 38.9531 177.2943 12 A 4.2478 8.1041 122.7319 55.9887 18.6218 180.1144 13 R 3.7714 8.2887 119.1271 61.7617 28.5151 180.6611 14 A 4.2026 8.1791 119.8667 55.1123 18.1824 178.8995 15 A 4.0607 8.0991 116.6129 53.2579 18.7680 179.1854 16 A 3.0732 7.6003 119.7690 53.3986 18.4858 177.3152 17 I 3.4700 6.3493 119.2835 63.7020 37.1827 174.8434 18 G 3.7388 8.0914 116.1390 45.1518 0.0000 173.4561 19 W 4.4010 7.4886 119.3322 57.6612 31.3160 172.4048 20 M 3.0453 9.2850 124.4783 54.1949 28.2904 172.2616 21 P 4.3661 0.0000 0.0000 62.8600 31.8066 178.3420 22 V 3.8142 7.7798 118.1578 63.0792 32.2127 178.6814 23 A 4.3187 8.1344 120.8416 54.8072 18.0038 177.9465 24 N 4.7625 8.2933 113.1602 51.0105 40.5420 177.7849 25 C 3.8740 7.9824 117.9193 57.3728 25.2432 177.4950 26 P 4.2561 0.0000 0.0000 64.0159 31.3507 177.3269 27 M 3.1250 7.6174 114.7930 54.3434 28.2977 180.2558 28 P 4.2872 0.0000 0.0000 64.0258 31.8177 177.0645 29 L 4.3286 8.5815 124.0960 56.0420 49.8100 180.4011 *35 N 4.8522 8.0491 117.3576 52.2556 40.9858 177.4806 36 K 4.5639 8.3821 124.8444 55.3076 32.3230 183.5019 37 R 4.7739 9.0722 119.8410 57.4038 31.8353 175.3214 38 Q 4.1484 8.4913 120.7672 54.5890 28.6137 174.2639 39 D 5.1700 8.4097 114.2982 53.7185 43.7901 174.6348 40 E 5.1030 8.6148 123.5017 54.4828 33.8458 174.7583 41 L 4.7172 8.5215 121.9060 54.2839 42.8429 176.3631 42 I 4.6602 9.1902 116.9617 59.2365 40.7921 174.5944 43 V 4.5986 8.5461 122.8723 61.4555 34.0298 174.3172 44 L 5.0839 9.3146 129.9913 53.0991 43.1811 175.5414 45 N 4.8605 9.6168 125.1897 53.5232 39.8675 173.9935 46 V 4.4343 8.8265 128.4120 61.1565 32.1114 174.8602 47 S 3.7660 8.5094 118.2346 58.0014 61.5566 170.9401 48 G 3.6121 7.5627 111.7250 45.9116 0.0000 174.7421 49 R 3.6305 7.9514 121.4644 56.3074 30.2194 176.2905 50 R 4.6897 8.1390 123.0454 55.0190 29.6883 176.1046 51 F 4.4062 9.3675 123.6465 57.2447 40.5064 174.5872 52 Q 5.1199 8.5670 119.9469 54.7260 32.2339 174.4259 53 T 4.5632 8.4422 115.9851 60.5175 71.6432 172.8822 54 W 4.8497 8.6831 125.9962 56.4796 30.2508 177.2740 55 R 3.9913 9.6545 124.0276 60.0313 28.9892 178.8317 56 T 4.1018 7.5649 108.9267 65.6169 67.9331 176.0705 57 T 4.0505 8.3603 118.4293 66.4871 68.5296 176.4165 58 L 4.0805 8.1303 120.7125 57.6216 41.6642 178.9745 59 E 4.1631 7.8217 116.1985 58.8458 29.4006 178.8917 60 R 4.0922 7.5586 118.3084 57.9886 31.4399 175.7945 61 Y 4.3821 7.7629 116.6625 54.8412 37.9917 173.0278 62 P 4.8263 0.0000 0.0000 62.3853 32.6373 177.1802 63 D 4.8829 8.8591 114.4161 53.9710 37.7757 173.3685 64 T 4.6089 6.8077 108.9007 60.8180 70.6807 175.6331 65 L 3.6457 7.9507 125.2537 57.9520 43.6429 178.8803 66 L 3.9840 7.9164 118.6677 57.6323 42.0639 179.1314 67 G 4.4058 8.2557 107.5957 47.5094 0.0000 172.9458 68 S 5.1272 7.7441 114.8721 57.4641 65.4223 173.8366 69 T 4.1190 8.4107 111.9227 64.6886 67.0608 176.8313 70 E 4.1668 8.4097 121.7149 59.5557 29.5004 178.8303 71 K 4.3017 7.9627 117.4901 59.8977 32.4126 178.2378 72 E 4.2570 8.5780 121.1348 59.3754 29.2265 178.1667 73 F 4.6520 8.4581 116.0903 58.9900 39.2082 175.4795 74 F 4.8350 8.8920 117.2139 56.9698 40.6590 174.5421 75 F 4.5118 8.3350 122.0527 57.5878 40.3138 174.2529 76 N 4.5007 7.9846 125.2851 51.8190 39.7290 174.7832 77 E 3.8604 8.9918 127.7835 59.6070 29.2409 177.4603 78 D 4.4351 7.5655 117.9679 56.6206 41.2904 177.6746 79 T 3.7452 7.7697 112.5600 62.7374 68.9014 173.9038 80 K 3.6089 7.5478 122.2279 56.5691 31.2986 174.0847 81 E 4.7406 6.7918 111.8177 54.4869 33.5599 173.4852 82 Y 4.7008 8.5511 119.0932 57.9822 39.1591 174.4266 83 F 5.3035 8.8198 126.4174 56.3241 42.2709 174.2185 84 F 4.8827 8.4764 124.2179 55.1167 42.2904 174.9493 85 D 4.5950 8.7920 124.5133 54.7252 41.4669 175.8943 86 R 4.3660 7.3792 117.2625 53.7938 32.3176 175.8057 87 D 4.5092 8.3054 118.5596 53.9032 41.5921 175.1947 88 P 4.3154 0.0000 0.0000 65.4902 32.3214 177.4045 89 E 4.1959 8.6191 119.7958 59.2773 30.0815 178.6771 90 V 3.7073 9.9176 119.1840 65.8906 31.9304 177.5511 91 F 3.5469 7.9003 121.0828 61.2311 38.8252 177.2388 92 R 4.0046 8.1627 117.7093 59.6103 29.8908 178.7272 93 C 4.1394 8.3957 116.5225 62.7476 27.9720 176.0243 94 V 3.3322 7.4433 117.9280 65.9045 31.0976 177.2649 95 L 3.7513 7.4636 119.9628 58.2938 41.5211 178.7482 96 N 4.3950 8.5954 116.3990 56.0173 38.1403 177.1378 97 F 4.3952 8.2579 123.5461 60.8017 39.5064 176.4805 98 Y 3.8944 8.2502 115.5817 61.0367 37.7099 176.9181 99 R 4.2318 7.6470 119.2904 57.3818 30.7914 176.6833 100 T 4.2127 7.1424 108.6044 61.0263 70.3765 176.1685 101 G 3.6361 8.5957 111.9712 48.3542 0.0000 174.0052 102 K 4.2672 7.5280 119.2991 55.6704 33.4668 175.9588 103 L 4.8988 8.6733 126.9033 54.2615 43.5211 174.6081 104 H 5.0386 8.8672 123.2632 54.2714 31.2085 174.0919 105 Y 4.1051 8.5213 123.4981 55.2022 38.2162 173.1895 106 P 3.7931 0.0000 0.0000 63.4435 30.3204 178.6698 107 R 3.8556 8.0013 122.3664 56.3103 28.7586 174.4845 108 Y 4.6295 8.0858 117.8533 59.2318 39.8670 176.2880 109 E 4.1058 6.6740 118.0132 55.7380 30.4232 176.6628 110 C 4.3721 8.5287 121.1464 59.4653 33.2884 173.7639 111 I 3.8082 8.6846 128.6326 65.2039 36.7076 177.8598 112 S 4.0955 8.1722 112.3366 61.8721 61.8769 176.1546 113 A 4.0571 7.6459 121.6946 55.0935 18.0141 178.1819 114 Y 4.5862 8.3278 116.2056 58.4576 39.7693 177.6709 115 D 4.1595 8.1988 119.7299 57.4680 41.1753 177.6016 116 D 4.4393 7.9941 119.5483 57.8395 40.9667 179.3362 117 E 3.9449 7.6805 118.7777 59.4794 29.5130 179.4255 118 L 3.9148 7.7073 118.7747 57.7039 41.7152 179.5259 119 A 3.9509 8.2254 120.9956 54.8093 18.0493 179.3984 120 F 3.9691 7.7460 117.8181 61.6970 39.4437 176.5600 121 Y 4.3240 7.8070 114.1230 58.3942 37.4563 177.0344 122 G 3.8570 7.5632 107.3314 45.5186 0.0000 173.0543 123 I 4.0862 7.2065 120.0566 59.0340 38.5833 175.6741 124 L 4.1027 8.3901 125.3478 54.4392 42.1993 176.4254 125 P 3.7846 0.0000 0.0000 64.9195 32.2061 176.5523 126 E 4.5130 7.5945 113.9714 55.3112 28.9429 175.7976 127 I 4.1765 7.5967 116.2879 61.8634 37.8012 176.9735 128 I 3.9324 6.7939 121.8785 60.4087 37.4944 176.7902 129 G 3.8693 8.4591 111.4763 44.5871 0.0000 174.1721 130 D 4.4923 8.5255 119.7980 57.1008 40.7716 178.5268 131 C 4.3352 8.1410 114.2848 60.7973 29.9904 174.6134 132 C 4.8472 8.0428 119.7009 61.0766 29.4442 175.8287 *133 Y 4.3870 7.9453 121.5767 60.7590 36.3814 182.0443 134 E 4.2291 8.0714 118.3491 60.6136 29.9986 178.8837 135 E 4.1622 8.1322 117.7795 59.1483 29.4632 178.5310 136 Y 3.7229 8.5912 122.0821 61.0267 38.9795 178.3096 137 K 4.0285 7.8214 123.8023 59.6129 31.7607 181.5048 138 D 4.8513 7.9477 118.9475 55.4018 40.9978 176.9798 139 R 4.6682 7.6252 118.0125 56.3687 30.0554 175.9937 140 K 4.0122 8.0880 125.6699 55.7778 32.5781 178.1909 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 A 8.25 4.28 1.32 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 0.00 0.00 0.00 4 G 7.85 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 0.00 0.00 0.00 5 V 8.12 4.09 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 0.83 0.00 0.00 0.93 0.00 0.00 6 A 8.22 4.20 1.32 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 0.00 0.00 0.00 7 A 7.57 4.17 1.22 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 0.00 0.00 0.00 8 W 8.56 4.68 0.00 3.53 3.39 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 9 L 7.75 4.11 0.00 1.60 1.69 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.34 0.00 1.90 2.16 0.00 3.41 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 1.51 1.79 0.00 11 F 7.57 4.42 0.00 3.35 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 12 A 8.10 4.25 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 13 R 8.29 3.77 0.00 1.81 1.98 0.00 3.28 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 14 A 8.18 4.20 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 15 A 8.10 4.06 1.44 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 16 A 7.60 3.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 6.35 3.47 1.83 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 1.16 0.46 0.89 0.00 0.00 18 G 8.09 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 19 W 7.49 4.40 0.00 3.50 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 20 M 9.29 3.05 0.00 2.01 1.83 0.00 0.00 0.00 0.00 0.00 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.45 0.00 21 P 0.00 4.37 0.00 2.19 2.08 0.00 3.69 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 2.18 2.18 0.00 22 V 7.78 3.81 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 0.76 0.00 0.00 0.93 0.00 0.00 23 A 8.13 4.32 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 24 N 8.29 4.76 0.00 2.65 2.64 0.00 0.00 6.82 7.40 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 25 C 7.98 3.87 0.00 2.95 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 26 P 0.00 4.26 0.00 2.09 2.16 0.00 3.83 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 1.90 1.84 0.00 27 M 7.62 3.12 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 28 P 0.00 4.29 0.00 1.96 2.03 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 29 L 8.58 4.33 0.00 1.44 1.41 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 *35 N 8.05 4.85 0.00 2.76 2.76 0.00 0.00 6.29 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 36 K 8.38 4.56 0.00 1.72 0.81 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.23 0.95 7.81 37 R 9.07 4.77 0.00 1.86 1.74 0.00 3.27 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.94 0.00 38 Q 8.49 4.15 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.67 0.00 0.00 0.00 0.00 0.00 2.29 1.96 0.00 39 D 8.41 5.17 0.00 2.55 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 40 E 8.61 5.10 0.00 2.04 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 0.00 2.36 2.40 0.00 41 L 8.52 4.72 0.00 1.31 1.31 0.78 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 42 I 9.19 4.66 2.16 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 1.37 0.84 1.06 0.00 0.00 43 V 8.55 4.60 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 1.10 0.00 0.00 0.99 0.00 0.00 44 L 9.31 5.08 0.00 1.71 1.78 1.10 0.86 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 45 N 9.62 4.86 0.00 2.84 2.99 0.00 0.00 6.34 7.60 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 46 V 8.83 4.43 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 0.79 0.00 0.00 -0.00 0.00 0.00 47 S 8.51 3.77 0.00 4.21 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 48 G 7.56 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 49 R 7.95 3.63 0.00 1.78 1.43 0.00 3.17 0.00 0.00 3.27 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 50 R 8.14 4.69 0.00 1.63 1.88 0.00 3.19 0.00 0.00 3.23 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 51 F 9.37 4.41 0.00 3.05 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 52 Q 8.57 5.12 0.00 1.84 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 53 T 8.44 4.56 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 1.24 0.00 0.00 54 W 8.68 4.85 0.00 3.55 3.09 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 55 R 9.65 3.99 0.00 2.13 2.07 0.00 3.18 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.74 0.00 56 T 7.56 4.10 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 57 T 8.36 4.05 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 1.41 0.00 0.00 58 L 8.13 4.08 0.00 1.88 1.67 0.77 0.23 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 59 E 7.82 4.16 0.00 2.17 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 0.00 2.40 2.54 0.00 60 R 7.56 4.09 0.00 1.85 2.12 0.00 3.28 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.55 0.00 61 Y 7.76 4.38 0.00 2.82 2.82 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 62 P 0.00 4.83 0.00 2.25 2.24 0.00 3.93 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.91 0.00 63 D 8.86 4.88 0.00 3.01 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 64 T 6.81 4.61 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 1.27 0.00 0.00 65 L 7.95 3.65 0.00 1.72 1.61 0.33 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.92 3.98 0.00 1.24 1.44 0.52 0.65 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 67 G 8.26 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 0.00 0.00 0.00 0.00 68 S 7.74 5.13 0.00 4.03 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 69 T 8.41 4.12 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 1.26 0.00 0.00 70 E 8.41 4.17 0.00 2.20 2.25 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 2.74 2.71 0.00 71 K 7.96 4.30 0.00 2.20 2.33 0.00 0.61 0.00 0.00 1.42 0.00 0.00 2.63 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.43 1.50 7.81 72 E 8.58 4.26 0.00 2.22 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 2.22 2.33 0.00 73 F 8.46 4.65 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 74 F 8.89 4.83 0.00 3.16 2.88 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 75 F 8.34 4.51 0.00 2.86 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 76 N 7.98 4.50 0.00 2.56 2.43 0.00 0.00 6.57 7.19 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 77 E 8.99 3.86 0.00 1.93 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 2.44 0.00 78 D 7.57 4.44 0.00 2.62 2.54 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 0.00 0.00 0.00 0.00 79 T 7.77 3.75 4.29 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 1.08 0.00 0.00 80 K 7.55 3.61 0.00 1.98 1.85 0.00 1.85 0.00 0.00 2.00 0.00 0.00 3.26 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.50 7.81 81 E 6.79 4.74 0.00 2.26 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 2.13 2.37 0.00 82 Y 8.55 4.70 0.00 3.24 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 83 F 8.82 5.30 0.00 2.94 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 84 F 8.48 4.88 0.00 2.78 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 85 D 8.79 4.59 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 86 R 7.38 4.37 0.00 1.86 2.00 0.00 3.08 0.00 0.00 2.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.82 0.00 87 D 8.31 4.51 0.00 2.80 2.61 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 88 P 0.00 4.32 0.00 2.37 2.47 0.00 3.89 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 2.06 2.00 0.00 89 E 8.62 4.20 0.00 2.18 2.27 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 2.56 2.56 0.00 90 V 9.92 3.71 2.29 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 1.01 0.00 0.00 1.12 0.00 0.00 91 F 7.90 3.55 0.00 3.30 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 92 R 8.16 4.00 0.00 2.34 2.09 0.00 3.33 0.00 0.00 3.66 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.07 0.00 93 C 8.40 4.14 0.00 3.08 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 94 V 7.44 3.33 1.10 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 0.15 0.00 0.00 0.50 0.00 0.00 95 L 7.46 3.75 0.00 1.39 1.52 0.71 0.72 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 96 N 8.60 4.39 0.00 3.04 2.94 0.00 0.00 6.74 8.09 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 97 F 8.26 4.40 0.00 2.85 3.16 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 98 Y 8.25 3.89 0.00 3.08 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 99 R 7.65 4.23 0.00 2.02 1.91 0.00 3.24 0.00 0.00 3.36 8.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.90 0.00 100 T 7.14 4.21 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 1.24 0.00 0.00 101 G 8.60 3.64 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 0.00 0.00 0.00 102 K 7.53 4.27 0.00 1.75 1.58 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.36 7.81 103 L 8.67 4.90 0.00 1.74 1.50 0.82 0.66 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 0.00 104 H 8.87 5.04 0.00 3.10 3.19 0.00 5.74 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 0.00 105 Y 8.52 4.11 0.00 2.80 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 0.00 106 P 0.00 3.79 0.00 0.69 1.71 0.00 2.99 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.55 0.00 107 R 8.00 3.86 0.00 1.85 1.85 0.00 3.20 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 108 Y 8.09 4.63 0.00 2.92 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 0.00 109 E 6.67 4.11 0.00 1.40 1.81 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 2.24 2.12 0.00 110 C 8.53 4.37 0.00 3.04 2.86 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 0.00 111 I 8.68 3.81 1.84 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.80 0.83 0.00 0.00 112 S 8.17 4.10 0.00 3.90 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 0.00 113 A 7.65 4.06 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.33 4.59 0.00 3.11 3.12 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 0.00 115 D 8.20 4.16 0.00 2.77 2.72 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 0.00 0.00 0.00 0.00 116 D 7.99 4.44 0.00 2.94 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 0.00 117 E 7.68 3.94 0.00 2.29 2.17 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 2.47 2.58 0.00 118 L 7.71 3.91 0.00 1.61 1.68 0.17 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 119 A 8.23 3.95 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 0.00 120 F 7.75 3.97 0.00 2.83 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 0.00 121 Y 7.81 4.32 0.00 2.96 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 0.00 122 G 7.56 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 0.00 123 I 7.21 4.09 1.57 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.43 0.02 0.29 0.00 0.00 124 L 8.39 4.10 0.00 1.56 1.49 0.88 1.04 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 0.00 125 P 0.00 3.78 0.00 2.04 2.08 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 126 E 7.59 4.51 0.00 1.97 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 2.16 2.25 0.00 127 I 7.60 4.18 1.66 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.61 1.04 0.00 0.00 128 I 6.79 3.93 1.71 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.71 0.89 0.00 0.00 129 G 8.46 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 0.00 130 D 8.53 4.49 0.00 2.65 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 0.00 131 C 8.14 4.34 0.00 3.18 3.11 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 0.00 132 C 8.04 4.85 0.00 3.04 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 *133 Y 7.95 4.39 0.00 2.34 2.30 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 0.00 134 E 8.07 4.23 0.00 2.02 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 2.51 2.37 0.00 135 E 8.13 4.16 0.00 2.14 2.27 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 2.47 2.39 0.00 136 Y 8.59 3.72 0.00 2.77 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 0.00 137 K 7.82 4.03 0.00 1.85 1.76 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 138 D 7.95 4.85 0.00 2.65 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 0.00 139 R 7.63 4.67 0.00 1.95 1.93 0.00 3.08 0.00 0.00 3.48 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.54 0.00 140 K 8.09 4.01 0.00 1.74 1.54 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.27 1.21 7.81 * Residues marked with a * may have inaccurate shift predictions.