NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.5137 8.1844 122.7539 55.2731 43.4194 175.4157 6 T 4.4234 9.0619 121.8455 59.7858 70.3254 170.8184 7 I 4.8937 8.2235 129.7741 59.4836 39.6224 174.5185 8 R 4.9096 8.3588 122.5509 54.2108 33.3736 174.4698 9 L 4.4206 8.5759 120.2188 55.0797 41.4307 177.0861 10 V 3.5244 7.9780 120.0711 62.1429 31.7066 175.4858 11 A 4.7858 8.7778 125.9884 50.1374 21.4295 177.1929 12 E 4.6236 8.8794 117.3712 57.9598 29.3862 177.7153 13 A 4.6748 7.7535 120.5468 52.3717 20.5337 177.7243 14 D 4.4841 8.0124 115.4260 55.0798 41.1395 178.4844 15 W 4.3096 7.9176 119.9073 59.1236 28.6724 176.3520 16 P 4.3952 0.0000 0.0000 64.8711 30.8683 177.9857 17 A 3.9676 7.8818 118.8886 53.9053 19.0389 179.1088 18 L 3.7402 7.9517 119.2415 58.5116 41.8214 178.6145 19 H 3.4181 8.2388 117.8333 58.9069 29.1069 177.0627 20 A 3.9131 7.4699 122.3992 54.9952 18.0316 179.3956 21 L 4.0334 7.7828 118.8296 58.2401 41.9054 178.8950 22 D 4.4050 7.4497 118.1491 57.4776 40.7975 178.5389 23 Q 4.0665 7.4413 116.0883 58.4044 28.6813 177.6667 24 I 4.0236 7.0040 117.2565 63.1709 37.6463 176.9649 25 I 3.9346 7.3415 112.2785 62.1907 38.5879 176.4973 *39 S 4.2020 7.7177 114.6724 57.8669 64.1423 174.0334 40 L 3.8324 8.3940 129.2570 57.9159 41.6897 178.9465 41 A 3.9871 7.9091 120.3547 54.7711 18.5353 179.2520 42 A 4.0174 7.8550 118.9470 55.0777 18.3361 179.1555 43 Y 3.9439 7.8773 117.4731 60.8890 39.0279 177.2619 44 Q 3.3380 7.5577 117.2806 58.8566 28.8004 178.4395 45 E 3.9239 7.3608 117.8802 58.7334 29.6551 178.6542 46 K 3.9722 7.3086 115.4039 57.4601 31.9025 177.7528 *48 K 3.9986 7.9235 116.2192 55.5719 33.8860 176.1102 49 D 4.7589 7.7716 115.5619 54.0397 41.3107 175.7744 50 E 4.3097 7.8322 116.5737 55.2649 30.8626 176.4529 51 T 4.0981 8.2270 119.6424 63.1988 69.2149 173.3481 52 I 4.9933 7.8218 127.0314 59.2644 41.0352 174.5949 53 F 5.0886 9.2136 125.1853 55.7442 41.7877 174.9880 54 V 4.8997 8.8093 115.6621 59.5199 35.1394 174.4163 55 A 4.7837 8.7922 126.2755 50.6060 20.9360 175.9249 56 I 4.5489 8.8966 124.3553 59.7747 39.6948 175.1589 57 S 4.5121 8.6972 124.0998 56.4510 61.6823 172.0669 58 G 3.6190 8.3085 115.4064 46.6946 0.0000 170.7599 59 Q 3.3791 8.0907 116.0698 56.8317 28.4315 172.4545 60 Q 4.4225 7.4484 114.3975 53.2732 31.4565 174.2797 61 L 4.3153 8.4421 126.7900 54.8617 41.4819 175.6218 62 A 3.3979 8.6307 130.1778 53.7277 20.1799 176.6014 63 G 4.2445 7.5828 100.8157 46.4814 0.0000 172.1612 64 F 5.4553 8.4976 113.6388 55.7203 41.6051 173.1522 65 I 4.9078 9.1305 120.4971 59.2535 41.2680 173.5477 66 E 5.2547 9.5515 129.6913 54.6002 32.7642 174.8907 67 V 5.4230 8.4613 118.0187 59.0374 35.6309 174.4328 68 H 5.0159 8.3068 118.2183 53.3651 32.0241 171.2190 69 P 5.5535 0.0000 0.0000 61.7110 31.8287 175.1503 70 P 4.4322 0.0000 0.0000 65.2720 31.5641 175.9689 71 T 4.8104 7.3994 106.3513 59.5970 71.8791 173.6522 72 S 4.3957 8.6086 115.8996 59.5725 63.2551 175.0997 73 L 4.0668 7.7529 122.6359 54.4651 42.1450 177.7316 74 A 3.9514 9.0047 126.2396 55.4793 18.3262 179.2370 75 A 4.1827 7.9707 115.8502 54.4342 18.6060 177.4769 76 H 4.9052 8.2537 112.5691 55.8492 29.2168 176.4624 77 Q 4.3407 8.0490 118.3476 57.2800 28.8703 176.3614 78 K 4.5257 7.8983 117.4854 56.0522 33.6447 175.2654 79 Q 4.9462 8.0378 121.3232 54.1180 32.8254 173.7290 80 W 5.5424 8.9836 125.6602 54.8337 32.1430 174.6386 81 L 4.8989 9.3646 128.2947 54.6575 42.5542 175.4240 82 L 5.2986 8.5044 126.7943 54.1523 43.2751 175.8607 83 S 4.6526 9.0884 115.1683 56.7749 65.6627 172.4349 84 I 4.6085 8.5401 127.5103 59.2934 39.6076 175.1561 85 G 3.7208 7.6045 113.2259 44.0641 0.0000 171.7054 86 V 4.8532 8.0018 122.8575 60.4519 34.5765 175.0940 87 S 4.2902 9.1908 122.7185 57.8440 62.9643 173.2747 88 P 4.2855 0.0000 0.0000 65.8637 31.3923 177.7063 89 D 4.3829 8.1979 116.7707 56.6176 40.8708 176.8168 90 F 4.7755 7.5116 117.3011 57.1513 39.7923 176.0871 91 Q 4.1636 7.9491 118.9438 56.1741 29.3245 176.1241 92 D 4.3578 8.5453 115.3960 55.6410 37.4915 174.3884 93 Q 4.3354 8.0642 116.8645 55.3021 28.8502 176.6113 94 G 4.0451 8.1851 105.7238 46.8797 0.0000 176.2998 95 I 3.7549 7.4131 121.2934 63.8978 37.0187 178.1676 96 G 3.7046 8.1779 106.2418 48.1285 0.0000 175.7535 97 G 3.6215 8.2431 108.1589 47.2332 0.0000 175.7559 98 S 4.2034 7.9426 117.4758 61.1998 62.8667 176.5962 99 L 3.9727 7.8618 121.6866 57.7795 41.3741 179.3779 100 L 4.0342 7.8358 118.6653 58.1015 41.5337 179.4045 101 S 4.0780 8.1988 112.8848 61.7689 61.9914 175.7202 102 Y 3.9080 7.9916 121.2001 60.6781 38.6358 177.5210 103 I 3.8330 7.7962 118.5026 63.5254 38.3268 177.6467 104 K 4.2103 8.4611 120.1517 59.4310 31.4589 179.6459 105 D 4.6058 7.6204 116.2316 54.6609 40.4487 178.2421 *107 A 3.6368 7.9506 124.1739 52.2153 20.4261 179.4971 108 E 3.8827 7.7741 113.9095 59.4542 29.4606 179.0843 109 I 4.1536 7.2791 111.5170 62.5976 38.2484 177.5806 110 S 4.2602 7.9316 114.5897 58.8625 62.8036 174.7280 111 G 3.8004 7.2355 109.6634 45.8613 0.0000 173.4348 112 I 3.7339 7.4593 120.9030 60.8264 37.8480 175.3937 113 H 4.6348 9.0034 125.1041 57.2984 31.5755 174.7088 114 K 4.7752 7.7162 118.2330 54.5120 35.8199 174.8777 115 L 5.4715 8.7040 126.9062 53.2711 44.8860 175.5753 116 S 5.4767 8.9769 116.0154 57.6401 67.1176 172.4522 117 L 4.7052 8.8235 119.4541 55.4488 43.9120 173.4765 118 R 5.3590 8.6068 118.3512 54.3807 32.1171 175.9920 119 V 4.2298 8.9711 125.3043 62.2832 34.8874 177.4991 *121 A 4.6193 8.8893 118.6424 51.9879 20.1579 177.5728 122 T 4.2125 7.9286 103.7407 63.1645 70.1623 175.0665 123 N 4.7023 7.8679 123.6591 52.0641 37.7013 174.7733 124 Q 4.0998 8.0883 121.9258 59.0074 29.3531 178.4812 125 E 4.0014 8.1566 117.7796 59.0749 29.9092 178.8830 126 A 3.9463 8.0925 121.6299 54.9598 18.4061 179.6189 127 I 3.4280 7.7698 118.3334 64.4675 37.1295 178.7410 128 R 3.8656 8.1097 118.9326 59.1866 29.8603 178.6151 129 F 3.9323 7.9858 120.1190 61.7773 39.3460 176.9000 130 Y 3.6336 7.7338 115.9894 60.7557 37.4677 178.2530 131 E 4.2669 8.2525 119.7211 59.3857 29.3663 179.1970 132 K 3.8628 8.0856 118.8652 59.3390 32.1706 177.3636 133 H 4.7840 7.5243 114.0905 55.5713 29.5856 176.2719 134 G 4.2056 8.0142 108.3590 45.2493 0.0000 174.4471 135 F 4.8351 8.5794 118.4757 57.4905 39.7614 175.4116 136 V 4.7424 8.9362 115.4749 59.3681 35.2834 174.7124 137 Q 3.6109 8.4137 124.5057 56.0829 28.8415 175.2707 138 E 4.6876 9.0897 125.1540 56.5701 32.3308 176.1676 139 A 4.4121 7.5809 119.5339 50.3061 23.0256 174.7934 140 H 4.9783 8.4145 119.9250 54.3323 31.8493 172.3732 141 F 4.6519 8.7296 125.3780 56.3867 39.7074 175.2997 142 K 4.5666 8.7154 123.7920 55.8705 33.1691 176.9933 143 E 3.8790 8.5107 122.2261 57.5772 27.6309 175.0461 144 E 4.0770 8.5265 119.6200 57.2604 30.9399 175.8649 145 F 4.9991 7.8386 117.7280 55.5825 41.0301 173.7630 146 Y 4.2520 8.7865 127.3513 56.8587 38.7923 174.1119 147 I 4.2081 8.5066 129.3339 60.2442 39.7716 175.7159 148 N 3.7583 9.4727 126.9707 54.3929 36.9003 174.5469 149 G 4.0043 6.7857 106.3063 43.2018 0.0000 172.2121 150 H 4.9839 7.4574 116.4604 53.9833 31.9507 171.8925 151 Y 5.3063 8.5607 118.9313 56.6715 40.1697 174.9652 152 C 5.0599 9.1276 120.4344 58.0198 31.8974 173.5319 153 D 5.1344 8.7902 122.2560 54.3542 41.6802 175.0684 154 D 5.0350 9.0941 119.6639 52.9329 45.3856 173.7334 155 Y 5.3809 9.3016 120.3188 56.2956 42.1580 174.1963 156 Q 5.2774 8.6307 122.7662 54.7624 31.8874 173.8455 157 Y 5.2831 9.4097 123.4913 56.2445 41.3787 174.5686 158 A 5.2882 9.4198 123.9736 50.3041 23.1063 174.1514 159 Y 4.2605 8.2587 121.6976 55.4443 41.7111 174.4310 160 F 4.6339 7.6208 125.1253 55.4321 40.2113 175.8518 161 I 3.9835 7.8410 124.1810 61.7186 36.5787 176.2935 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 L 8.18 4.51 0.00 1.67 1.65 0.87 0.50 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 6 T 9.06 4.42 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 1.21 0.00 0.00 7 I 8.22 4.89 1.41 0.00 0.00 0.77 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 0.63 -0.18 0.00 0.00 8 R 8.36 4.91 0.00 1.81 1.98 0.00 2.74 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.52 0.00 9 L 8.58 4.42 0.00 1.33 1.19 0.87 0.75 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 10 V 7.98 3.52 1.71 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 0.54 0.00 0.00 -0.05 0.00 0.00 11 A 8.78 4.79 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 12 E 8.88 4.62 0.00 2.06 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 2.46 0.00 13 A 7.75 4.67 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 14 D 8.01 4.48 0.00 2.28 2.35 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 15 W 7.92 4.31 0.00 3.42 3.31 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 16 P 0.00 4.40 0.00 2.19 2.14 0.00 3.66 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 2.16 2.23 0.00 17 A 7.88 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 18 L 7.95 3.74 0.00 1.65 1.56 0.37 0.17 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 19 H 8.24 3.42 0.00 3.23 3.29 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.47 3.91 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 21 L 7.78 4.03 0.00 1.92 1.80 1.10 1.37 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 22 D 7.45 4.41 0.00 2.44 2.55 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 23 Q 7.44 4.07 0.00 1.95 2.09 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 2.28 2.16 0.00 24 I 7.00 4.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.58 0.90 0.00 0.00 25 I 7.34 3.93 1.88 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.64 0.91 0.00 0.00 *39 S 7.72 4.20 0.00 3.94 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 40 L 8.39 3.83 0.00 1.84 1.65 1.05 1.29 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 41 A 7.91 3.99 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 42 A 7.86 4.02 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 43 Y 7.88 3.94 0.00 2.90 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 44 Q 7.56 3.34 0.00 1.88 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.76 0.00 0.00 0.00 0.00 0.00 1.60 2.33 0.00 45 E 7.36 3.92 0.00 2.01 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 2.24 2.26 0.00 46 K 7.31 3.97 0.00 1.92 1.71 0.00 1.93 0.00 0.00 1.63 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.43 7.81 *48 K 7.92 4.00 0.00 1.68 1.73 0.00 1.63 0.00 0.00 1.32 0.00 0.00 2.64 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.29 1.22 7.81 49 D 7.77 4.76 0.00 2.59 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 50 E 7.83 4.31 0.00 1.99 1.84 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 2.23 2.21 0.00 51 T 8.23 4.10 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 1.03 0.00 0.00 52 I 7.82 4.99 1.66 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 1.34 0.79 0.87 0.00 0.00 53 F 9.21 5.09 0.00 2.94 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 54 V 8.81 4.90 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 0.82 0.00 0.00 0.80 0.00 0.00 55 A 8.79 4.78 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 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.90 4.55 1.79 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 1.01 0.81 0.88 0.00 0.00 57 S 8.70 4.51 0.00 3.64 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 58 G 8.31 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.09 3.38 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.37 0.00 60 Q 7.45 4.42 0.00 2.40 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 61 L 8.44 4.32 0.00 1.54 1.55 0.79 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.63 3.40 0.53 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 63 G 7.58 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 64 F 8.50 5.46 0.00 3.14 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 65 I 9.13 4.91 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.86 1.05 0.00 0.00 66 E 9.55 5.25 0.00 2.20 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 2.41 2.46 0.00 67 V 8.46 5.42 1.01 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 0.36 0.00 0.00 -0.25 0.00 0.00 68 H 8.31 5.02 0.00 3.20 3.34 0.00 5.47 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 5.55 0.00 2.30 2.33 0.00 3.90 0.00 0.00 4.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.30 0.00 70 P 0.00 4.43 0.00 2.11 2.17 0.00 3.86 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.76 0.00 71 T 7.40 4.81 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 1.31 0.00 0.00 72 S 8.61 4.40 0.00 3.92 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 73 L 7.75 4.07 0.00 1.75 1.61 0.94 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 74 A 9.00 3.95 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 75 A 7.97 4.18 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 76 H 8.25 4.91 0.00 3.43 3.35 0.00 5.63 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.05 4.34 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 7.37 0.00 0.00 0.00 0.00 0.00 2.76 2.52 0.00 78 K 7.90 4.53 0.00 1.65 1.74 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.33 7.81 79 Q 8.04 4.95 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.02 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.51 0.00 80 W 8.98 5.54 0.00 3.35 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 81 L 9.36 4.90 0.00 1.78 1.36 0.97 0.47 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 82 L 8.50 5.30 0.00 1.74 1.73 0.93 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 9.09 4.65 0.00 3.91 3.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.54 4.61 1.75 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.78 0.61 0.00 0.00 85 G 7.60 3.72 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 0.00 0.00 0.00 86 V 8.00 4.85 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 0.83 0.00 0.00 0.73 0.00 0.00 87 S 9.19 4.29 0.00 4.09 4.05 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 88 P 0.00 4.29 0.00 2.07 2.10 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 89 D 8.20 4.38 0.00 2.50 2.38 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 90 F 7.51 4.78 0.00 2.92 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 91 Q 7.95 4.16 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.10 6.15 0.00 0.00 0.00 0.00 0.00 2.60 2.30 0.00 92 D 8.55 4.36 0.00 2.78 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 93 Q 8.06 4.34 0.00 2.39 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.13 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 94 G 8.19 4.05 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 0.00 95 I 7.41 3.75 1.82 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 1.49 1.18 0.81 0.00 0.00 96 G 8.18 3.70 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 0.00 0.00 0.00 97 G 8.24 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.94 4.20 0.00 3.96 3.91 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 99 L 7.86 3.97 0.00 2.04 1.72 0.83 0.59 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 0.00 100 L 7.84 4.03 0.00 1.80 1.68 0.72 1.05 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 0.00 101 S 8.20 4.08 0.00 3.91 3.93 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 0.00 102 Y 7.99 3.91 0.00 3.03 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 0.00 103 I 7.80 3.83 2.09 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 1.62 1.10 1.09 0.00 0.00 104 K 8.46 4.21 0.00 1.92 1.83 0.00 1.53 0.00 0.00 1.25 0.00 0.00 2.13 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.17 1.46 7.81 105 D 7.62 4.61 0.00 2.59 2.53 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 *107 A 7.95 3.64 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 0.00 108 E 7.77 3.88 0.00 2.10 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 0.00 2.34 2.34 0.00 109 I 7.28 4.15 1.87 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 1.53 0.77 0.95 0.00 0.00 110 S 7.93 4.26 0.00 3.56 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 0.00 111 G 7.24 3.80 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 0.00 0.00 0.00 112 I 7.46 3.73 1.12 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.26 -0.36 0.50 0.00 0.00 113 H 9.00 4.63 0.00 3.20 3.41 0.00 5.73 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 K 7.72 4.78 0.00 1.76 1.51 0.00 1.78 0.00 0.00 2.02 0.00 0.00 2.75 0.00 0.00 2.54 0.00 0.00 0.00 0.00 1.16 0.71 7.81 115 L 8.70 5.47 0.00 1.59 1.76 1.04 0.95 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 0.00 116 S 8.98 5.48 0.00 4.00 3.93 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 0.00 117 L 8.82 4.71 0.00 1.67 1.69 0.67 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 118 R 8.61 5.36 0.00 1.85 2.30 0.00 3.29 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.79 0.00 119 V 8.97 4.23 2.32 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 1.09 0.00 0.00 0.96 0.00 0.00 *121 A 8.89 4.62 1.20 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 0.00 0.00 122 T 7.93 4.21 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 1.25 0.00 0.00 123 N 7.87 4.70 0.00 2.79 2.83 0.00 0.00 7.20 6.77 0.00 0.00 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 Q 8.09 4.10 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.69 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 125 E 8.16 4.00 0.00 2.18 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 0.00 2.33 2.31 0.00 126 A 8.09 3.95 1.48 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 0.00 0.00 0.00 127 I 7.77 3.43 2.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.71 0.82 0.00 0.00 128 R 8.11 3.87 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 129 F 7.99 3.93 0.00 3.05 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 0.00 130 Y 7.73 3.63 0.00 2.76 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.25 4.27 0.00 2.24 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 0.00 2.51 2.38 0.00 132 K 8.09 3.86 0.00 1.66 1.78 0.00 1.69 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.02 1.32 7.81 133 H 7.52 4.78 0.00 2.91 3.19 0.00 5.91 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.01 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 0.00 0.00 0.00 135 F 8.58 4.84 0.00 3.16 3.41 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 0.00 136 V 8.94 4.74 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 0.83 0.00 0.00 1.15 0.00 0.00 137 Q 8.41 3.61 0.00 1.43 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.88 0.00 0.00 0.00 0.00 0.00 2.06 1.74 0.00 138 E 9.09 4.69 0.00 1.81 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 2.30 2.27 0.00 139 A 7.58 4.41 0.44 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 0.00 140 H 8.41 4.98 0.00 3.21 3.15 0.00 5.73 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.73 4.65 0.00 2.99 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 0.00 142 K 8.72 4.57 0.00 1.59 1.69 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.26 7.81 143 E 8.51 3.88 0.00 1.95 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 2.30 2.20 0.00 144 E 8.53 4.08 0.00 1.89 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 1.50 1.47 0.00 145 F 7.84 5.00 0.00 3.26 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 0.00 146 Y 8.79 4.25 0.00 2.84 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 0.00 147 I 8.51 4.21 1.77 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.94 0.83 0.00 0.00 148 N 9.47 3.76 0.00 2.65 2.73 0.00 0.00 7.43 7.98 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 0.00 149 G 6.79 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 0.00 150 H 7.46 4.98 0.00 3.04 3.14 0.00 5.59 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.56 5.31 0.00 2.89 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 0.00 152 C 9.13 5.06 0.00 3.10 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 0.00 153 D 8.79 5.13 0.00 2.49 2.47 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 0.00 154 D 9.09 5.03 0.00 2.95 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.30 5.38 0.00 3.26 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 0.00 156 Q 8.63 5.28 0.00 2.41 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.69 0.00 157 Y 9.41 5.28 0.00 2.95 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 0.00 158 A 9.42 5.29 1.01 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 0.00 0.00 159 Y 8.26 4.26 0.00 1.43 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 0.00 160 F 7.62 4.63 0.00 2.65 2.77 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.84 3.98 1.87 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.89 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.