NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 5.4958 8.4481 120.3045 55.0224 42.6591 173.8391 3 K 4.3260 8.2654 121.4066 55.5578 35.8407 168.6794 4 V 4.6705 8.7933 120.8741 60.9916 35.6769 175.3730 *6 V 3.8626 7.9947 121.2270 62.4680 32.7519 173.8743 7 V 5.0330 8.5625 127.1590 61.1052 34.3272 174.0521 8 A 4.9548 8.8306 128.1709 50.3956 22.8610 174.8208 9 E 4.7494 8.7502 119.6792 55.6670 31.4605 176.7057 10 V 4.3840 8.7700 122.6968 61.1249 33.9216 175.5044 11 R 4.4699 9.7940 127.9710 54.7884 30.8175 176.4162 12 P 4.3295 0.0000 0.0000 65.5566 31.3074 177.8801 13 S 4.4091 7.9569 110.1021 58.8758 63.7008 173.8155 14 E 4.4362 8.0857 121.3129 55.1389 30.9568 174.8317 15 D 4.8222 8.2581 120.3179 52.3573 42.4251 177.1661 16 V 3.5970 8.5671 127.8440 65.4392 30.9113 178.0228 17 N 4.4040 8.1084 116.3038 56.0244 38.4185 177.3558 18 K 4.0240 8.4047 120.3411 59.2248 32.1421 179.6524 19 V 3.6488 7.7096 118.2724 65.8841 31.4929 177.9921 20 L 4.0666 8.3785 119.3268 57.7375 41.2152 179.4144 21 S 4.0575 8.1673 112.2604 61.1424 62.1060 175.5407 22 A 4.2991 8.1557 123.5727 55.5619 18.0470 179.7869 23 I 4.0139 7.8692 118.0953 64.6049 37.0009 178.7203 24 S 4.5206 8.0500 116.6212 60.9057 62.9699 176.2664 25 N 4.2074 7.5972 117.9054 55.1398 37.8231 176.0600 26 F 5.3071 8.0399 115.1777 56.6364 41.5226 174.3038 27 F 5.4932 8.1711 122.8363 56.9619 43.0873 172.6866 28 D 4.8896 8.1389 126.2499 52.1116 41.5683 176.1310 29 F 4.1173 8.0661 118.5270 56.7066 38.5158 175.2221 30 E 4.4162 8.9731 119.1462 56.9255 31.1740 175.5755 31 K 4.5521 7.8874 115.9059 56.5853 35.8079 173.7978 *33 N 4.8383 8.4515 116.0898 54.0684 40.2345 173.6781 34 T 5.1539 7.4947 115.0191 60.4162 72.7253 175.4769 *38 G 3.9463 8.5516 110.8268 46.0032 0.0000 174.1404 39 I 4.1981 8.4804 118.7523 60.4628 38.0935 175.1249 40 I 4.4908 7.3812 115.1162 59.5291 39.2790 175.0853 41 D 4.7448 8.7302 126.1288 53.7751 42.5258 175.3169 42 I 4.7811 8.1818 121.7359 59.5142 40.2745 174.0748 43 L 4.6992 9.2539 130.4951 53.7056 43.5853 175.1827 44 V 4.7050 8.2553 126.8075 61.3167 33.0039 174.4585 45 L 5.0512 9.1349 129.4374 53.0913 43.9005 175.9841 46 E 5.4021 9.0261 118.9845 55.5031 33.4663 173.7248 47 A 5.2169 9.6786 122.0181 50.7855 22.7296 176.7623 48 R 4.2569 9.2530 118.5233 56.5386 31.3931 176.3472 49 T 4.8996 7.4503 111.2547 59.4738 69.5778 174.7194 50 L 4.3239 8.2175 125.8409 56.5852 42.1955 179.1578 51 K 4.2810 8.0634 118.8711 58.5667 32.2672 178.7651 52 S 4.3698 8.2024 113.2992 59.9111 63.1907 175.2667 53 L 4.9173 8.2707 121.0441 54.8776 41.8500 177.8851 54 L 4.1867 8.1421 122.4371 57.9185 41.3943 179.6543 55 K 4.0933 8.2312 118.1937 59.1893 32.0757 178.9235 56 F 4.0055 8.4689 120.5454 61.6348 39.4332 176.2899 57 H 3.8945 8.6066 118.1272 59.3091 29.4347 177.1407 58 R 3.8643 8.1755 120.3850 59.4630 29.9442 178.5941 59 V 3.5330 8.0038 118.2492 66.0371 31.4882 177.9550 60 L 3.8411 7.7431 118.6908 57.5974 41.4851 179.8135 61 R 3.8621 7.4397 117.4085 59.0436 29.9271 178.6151 62 N 4.2612 8.0347 115.0627 56.5347 38.5380 176.1209 63 E 4.1113 8.2023 113.9568 56.0512 30.3044 176.6662 64 R 3.7295 7.3518 117.3305 57.6534 28.0033 176.0129 65 I 4.6047 7.8069 105.7176 60.0062 39.0016 178.5823 66 L 3.8759 8.2208 123.1180 59.0079 41.2882 178.5539 67 D 4.2454 7.9708 118.0723 57.4650 40.9199 178.7942 68 S 3.9767 7.9476 112.7334 61.2239 62.5006 175.8421 69 A 3.2547 8.0194 123.4985 54.8301 17.9053 179.3824 70 R 3.6841 7.7589 116.2624 59.4413 30.1730 178.0985 71 K 3.8140 7.2812 117.4627 60.0020 32.2011 177.9477 72 Y 4.1053 7.0158 114.9424 60.7200 38.0333 178.4655 73 L 4.0545 8.0536 118.1921 55.1459 40.8802 178.9462 *75 K 4.2757 8.1586 120.7913 56.7591 34.5071 177.8233 76 G 3.8539 7.7505 107.3406 46.9591 0.0000 173.6681 77 I 4.3417 7.1035 122.1743 61.3420 36.8993 173.6574 78 E 4.6167 8.2198 123.4451 55.6437 34.0086 177.6205 79 G 3.8158 8.4648 106.5189 45.7895 0.0000 172.6838 80 N 5.1173 9.3423 115.9406 52.9696 40.9870 175.1715 81 T 5.3373 7.8995 108.7553 60.0117 72.9849 172.5684 82 I 5.1894 8.8147 122.1044 59.6353 40.6923 174.3619 83 A 5.0633 9.1925 128.9850 50.3385 22.0044 174.7519 84 F 5.1054 7.7600 117.1659 56.2377 41.9054 173.1502 *86 I 4.1944 8.3074 110.5873 61.1082 39.5779 174.5507 87 H 4.3097 9.0920 124.3192 56.3044 30.2489 175.4328 88 K 3.9404 9.0364 127.3747 60.0648 31.9914 178.5231 89 Q 4.0208 8.0510 117.2313 58.8224 28.7103 178.6853 90 A 3.9713 8.3563 121.0195 55.2998 18.5638 179.4108 91 A 4.6329 8.5747 120.3168 54.8433 18.2071 179.6756 92 A 4.0730 8.1989 118.8964 54.6807 18.3939 179.1728 93 V 4.2506 7.2931 109.1278 61.0515 32.1154 177.1501 94 G 3.9041 8.0639 106.3095 44.3669 0.0000 173.7287 95 V 4.2739 7.9725 120.3778 61.0943 33.6375 174.5070 96 L 4.0735 8.3172 129.7491 53.4513 42.9387 175.2778 97 S 4.4731 7.8940 121.2461 56.1509 65.2411 173.4286 98 F 4.3525 8.7099 125.9447 57.5154 40.5745 175.5448 99 V 4.0662 7.6965 120.2999 63.1153 30.2309 178.4285 *109 A 4.3245 8.7690 119.9277 51.0892 20.3099 175.9785 110 I 4.3519 7.6437 115.9915 59.8537 38.1674 175.4498 111 K 4.4833 8.8233 127.9417 54.8968 33.9806 175.7859 112 F 4.3707 8.3531 123.7066 55.6643 41.3586 174.4557 113 Y 4.9594 8.1840 119.6976 56.3530 41.3379 174.6492 114 I 4.8161 8.9249 125.2641 59.5526 40.7033 174.2905 115 E 5.2193 9.1253 127.3645 55.0384 31.4004 174.5659 116 Y 5.3662 9.0923 122.9071 57.5564 42.3411 175.2814 117 Q 4.6969 8.2517 123.3564 58.0567 29.4510 176.2117 118 N 4.9972 6.9775 113.3562 49.3695 39.0737 172.5559 119 P 4.4599 0.0000 0.0000 66.0993 31.4605 178.6133 120 K 4.0472 8.2630 117.5097 59.2333 31.9019 178.8879 121 E 4.0891 8.2914 118.5671 59.2862 29.3197 179.2847 122 I 3.9084 7.8439 119.9167 64.5496 37.2727 178.4833 123 V 3.6510 7.9493 118.4009 66.3747 31.1911 177.5881 124 D 5.0810 8.5386 117.1453 56.4159 40.7184 178.3688 125 W 4.6326 8.1423 128.7999 60.4907 30.9736 177.8924 126 L 3.7575 8.3013 117.6238 56.2067 42.5176 177.5336 127 A 4.5735 8.0128 120.2051 48.9057 18.6052 173.4750 128 P 3.8870 0.0000 0.0000 61.5100 32.6035 176.9703 129 K 4.0318 6.8845 123.8301 56.6966 33.3444 175.5509 130 T 4.9904 8.2559 115.2329 59.7368 72.1137 173.1698 131 A 4.4685 8.2693 125.3305 51.5885 21.1872 175.9447 132 H 4.1129 9.6578 123.3494 57.5438 28.1213 175.4112 133 G 3.9335 8.5424 103.2580 45.1613 0.0000 174.2000 134 V 4.3859 7.3571 118.5967 58.3770 33.7968 173.5356 135 P 4.4157 0.0000 0.0000 63.0814 31.5055 176.6023 136 L 4.2193 8.0988 122.9091 56.1932 41.9639 176.5967 137 W 5.1090 6.8543 113.4589 55.8747 30.6002 174.1666 138 D 4.8716 8.4517 117.7561 52.6076 40.5946 174.4526 139 N 4.7498 8.5972 119.6499 51.7853 39.7490 173.3512 140 P 4.7246 0.0000 0.0000 61.6811 32.6328 176.3824 141 V 2.0000 7.9064 112.2976 60.0232 31.6895 174.9442 142 P 4.1845 0.0000 0.0000 61.5588 31.7589 174.4503 143 P 4.1484 0.0000 0.0000 64.7468 31.4717 176.0290 144 D 4.8935 8.8441 119.6393 54.6324 40.1943 174.8853 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 2 D 8.45 5.50 0.00 2.71 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 3 K 8.27 4.33 0.00 2.12 1.93 0.00 1.62 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.56 7.81 4 V 8.79 4.67 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 0.67 0.00 0.00 1.11 0.00 0.00 *6 V 7.99 3.86 1.77 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 0.49 0.00 0.00 -0.71 0.00 0.00 7 V 8.56 5.03 2.19 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 1.03 0.00 0.00 0.96 0.00 0.00 8 A 8.83 4.95 1.18 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 9 E 8.75 4.75 0.00 1.86 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 2.28 2.30 0.00 10 V 8.77 4.38 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 0.98 0.00 0.00 0.92 0.00 0.00 11 R 9.79 4.47 0.00 1.84 1.83 0.00 3.36 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 1.85 1.74 0.00 12 P 0.00 4.33 0.00 2.03 2.13 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.26 0.00 13 S 7.96 4.41 0.00 3.97 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 14 E 8.09 4.44 0.00 2.05 1.91 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 2.29 2.23 0.00 15 D 8.26 4.82 0.00 2.73 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 16 V 8.57 3.60 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 0.96 0.00 0.00 0.91 0.00 0.00 17 N 8.11 4.40 0.00 3.07 2.92 0.00 0.00 7.18 7.82 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 18 K 8.40 4.02 0.00 1.93 1.86 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 19 V 7.71 3.65 2.22 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 1.08 0.00 0.00 0.94 0.00 0.00 20 L 8.38 4.07 0.00 1.88 1.79 0.95 0.55 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 21 S 8.17 4.06 0.00 3.89 4.10 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 22 A 8.16 4.30 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 23 I 7.87 4.01 2.14 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 1.64 0.90 1.20 0.00 0.00 24 S 8.05 4.52 0.00 4.09 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 25 N 7.60 4.21 0.00 1.44 1.78 0.00 0.00 6.59 8.01 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 26 F 8.04 5.31 0.00 3.43 3.22 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 27 F 8.17 5.49 0.00 3.49 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 28 D 8.14 4.89 0.00 2.41 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 29 F 8.07 4.12 0.00 3.01 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 30 E 8.97 4.42 0.00 2.16 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 2.21 2.19 0.00 31 K 7.89 4.55 0.00 1.85 2.00 0.00 1.56 0.00 0.00 1.86 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.47 7.81 *33 N 8.45 4.84 0.00 2.65 2.79 0.00 0.00 6.60 7.05 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 34 T 7.49 5.15 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 1.18 0.00 0.00 *38 G 8.55 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 0.00 0.00 0.00 39 I 8.48 4.20 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 1.47 0.68 0.91 0.00 0.00 40 I 7.38 4.49 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 1.34 0.69 0.91 0.00 0.00 41 D 8.73 4.74 0.00 2.84 2.60 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 0.00 0.00 0.00 0.00 42 I 8.18 4.78 1.85 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 1.21 1.23 0.89 0.00 0.00 43 L 9.25 4.70 0.00 1.74 1.57 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 44 V 8.26 4.70 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 0.79 0.00 0.00 0.88 0.00 0.00 45 L 9.13 5.05 0.00 1.67 1.86 0.75 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 46 E 9.03 5.40 0.00 2.19 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 2.24 2.34 0.00 47 A 9.68 5.22 1.40 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 0.00 0.00 48 R 9.25 4.26 0.00 1.81 2.10 0.00 3.59 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 49 T 7.45 4.90 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 1.31 0.00 0.00 50 L 8.22 4.32 0.00 1.40 1.32 0.20 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.06 4.28 0.00 1.87 1.91 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.34 7.81 52 S 8.20 4.37 0.00 4.00 4.16 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 53 L 8.27 4.92 0.00 2.30 1.87 1.12 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.14 4.19 0.00 1.94 1.86 1.02 1.23 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 55 K 8.23 4.09 0.00 1.99 2.13 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.58 1.57 7.81 56 F 8.47 4.01 0.00 3.58 3.23 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 57 H 8.61 3.89 0.00 2.74 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.18 3.86 0.00 2.13 1.99 0.00 3.34 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 59 V 8.00 3.53 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 0.92 0.00 0.00 1.13 0.00 0.00 60 L 7.74 3.84 0.00 1.60 1.59 1.06 0.91 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 61 R 7.44 3.86 0.00 2.06 1.89 0.00 3.03 0.00 0.00 3.08 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.48 0.00 62 N 8.03 4.26 0.00 2.64 2.86 0.00 0.00 7.13 8.52 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 63 E 8.20 4.11 0.00 2.03 1.92 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 2.29 2.36 0.00 64 R 7.35 3.73 0.00 1.90 1.88 0.00 3.07 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 65 I 7.81 4.60 1.88 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.90 0.91 0.00 0.00 66 L 8.22 3.88 0.00 1.59 1.63 0.77 0.92 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 67 D 7.97 4.25 0.00 2.65 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 68 S 7.95 3.98 0.00 3.90 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 69 A 8.02 3.25 1.38 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 0.00 0.00 70 R 7.76 3.68 0.00 1.91 2.02 0.00 3.34 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 71 K 7.28 3.81 0.00 1.53 1.67 0.00 1.57 0.00 0.00 1.08 0.00 0.00 2.54 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.91 1.21 7.81 72 Y 7.02 4.11 0.00 2.19 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 73 L 8.05 4.05 0.00 1.54 1.55 0.78 -0.29 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 *75 K 8.16 4.28 0.00 1.94 2.05 0.00 1.56 0.00 0.00 1.83 0.00 0.00 2.76 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.51 7.81 76 G 7.75 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 77 I 7.10 4.34 1.92 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 1.26 0.82 1.01 0.00 0.00 78 E 8.22 4.62 0.00 1.95 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 2.25 2.29 0.00 79 G 8.46 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 0.00 0.00 0.00 80 N 9.34 5.12 0.00 2.67 2.94 0.00 0.00 6.33 7.05 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 81 T 7.90 5.34 4.36 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 1.27 0.00 0.00 82 I 8.81 5.19 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.83 1.15 0.00 0.00 83 A 9.19 5.06 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 84 F 7.76 5.11 0.00 3.19 3.18 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 *86 I 8.31 4.19 1.67 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 1.44 0.68 0.57 0.00 0.00 87 H 9.09 4.31 0.00 3.15 3.15 0.00 5.60 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 K 9.04 3.94 0.00 1.89 1.73 0.00 1.70 0.00 0.00 1.83 0.00 0.00 3.10 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.63 7.81 89 Q 8.05 4.02 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 90 A 8.36 3.97 1.25 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 91 A 8.57 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.20 4.07 1.40 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 0.00 0.00 93 V 7.29 4.25 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 0.78 0.00 0.00 1.03 0.00 0.00 94 G 8.06 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 95 V 7.97 4.27 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 0.85 0.00 0.00 0.93 0.00 0.00 96 L 8.32 4.07 0.00 0.88 1.05 -0.67 -0.29 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 97 S 7.89 4.47 0.00 3.77 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 98 F 8.71 4.35 0.00 2.32 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 0.00 0.00 0.00 0.00 99 V 7.70 4.07 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 0.83 0.00 0.00 0.93 0.00 0.00 *109 A 8.77 4.32 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 0.00 110 I 7.64 4.35 2.12 0.00 0.00 1.00 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 0.70 1.01 0.00 0.00 111 K 8.82 4.48 0.00 1.68 1.25 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 112 F 8.35 4.37 0.00 1.51 1.97 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 0.00 113 Y 8.18 4.96 0.00 2.73 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 0.00 114 I 8.92 4.82 2.01 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.99 1.02 0.00 0.00 115 E 9.13 5.22 0.00 1.95 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 2.31 2.29 0.00 116 Y 9.09 5.37 0.00 3.04 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 0.00 117 Q 8.25 4.70 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.01 0.00 0.00 0.00 0.00 0.00 1.69 2.01 0.00 118 N 6.98 5.00 0.00 2.91 2.82 0.00 0.00 6.59 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 0.00 119 P 0.00 4.46 0.00 2.36 2.45 0.00 3.84 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.35 0.00 120 K 8.26 4.05 0.00 1.87 1.97 0.00 1.70 0.00 0.00 1.84 0.00 0.00 3.00 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.59 1.59 7.81 121 E 8.29 4.09 0.00 2.38 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 2.39 2.45 0.00 122 I 7.84 3.91 2.11 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 1.10 0.00 0.00 123 V 7.95 3.65 2.33 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 1.10 0.00 0.00 0.98 0.00 0.00 124 D 8.54 5.08 0.00 2.87 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 0.00 125 W 8.14 4.63 0.00 3.35 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 0.00 126 L 8.30 3.76 0.00 1.54 1.59 0.76 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 127 A 8.01 4.57 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 0.00 128 P 0.00 3.89 0.00 1.41 0.83 0.00 3.48 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.18 0.00 129 K 6.88 4.03 0.00 1.87 1.26 0.00 1.50 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.56 1.38 7.81 130 T 8.26 4.99 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 0.00 131 A 8.27 4.47 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 0.00 132 H 9.66 4.11 0.00 3.29 3.34 0.00 5.82 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 G 8.54 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 0.00 0.00 0.00 134 V 7.36 4.39 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 0.89 0.00 0.00 0.90 0.00 0.00 135 P 0.00 4.42 0.00 1.94 1.82 0.00 3.60 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.98 0.00 136 L 8.10 4.22 0.00 1.43 1.88 0.95 1.17 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 0.00 137 W 6.85 5.11 0.00 3.35 3.22 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 0.00 138 D 8.45 4.87 0.00 2.67 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.60 4.75 0.00 3.07 2.87 0.00 0.00 7.27 8.02 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 0.00 140 P 0.00 4.72 0.00 2.15 2.10 0.00 3.84 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 1.96 1.99 0.00 141 V 7.91 2.00 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 0.74 0.00 0.00 0.63 0.00 0.00 142 P 0.00 4.18 0.00 1.46 1.89 0.00 2.42 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.92 0.00 143 P 0.00 4.15 0.00 2.21 2.08 0.00 3.79 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 2.14 2.04 0.00 144 D 8.84 4.89 0.00 2.98 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 * Residues marked with a * may have inaccurate shift predictions.