NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.4887 8.3293 120.8368 58.7868 31.5651 173.0573 11 P 4.3706 0.0000 0.0000 63.4011 32.6819 174.3717 12 L 4.8630 8.2479 123.6478 54.1235 45.0503 175.8338 13 M 5.0096 9.4622 125.6306 53.4556 36.6980 174.5784 14 V 4.7511 8.1357 119.7443 60.9839 35.2941 174.2546 15 K 4.7750 9.1429 128.2466 54.6898 35.1626 174.6568 16 V 4.7839 8.8739 127.9761 61.0338 34.1433 174.2601 17 L 4.9688 8.8622 126.9651 52.9060 45.8220 175.1044 18 D 5.1144 8.8610 122.0526 52.7338 42.0608 176.6336 19 A 4.2759 9.2387 128.9766 53.9829 18.4462 178.7845 20 V 3.8239 8.5800 114.9253 65.4248 31.8819 176.9742 21 R 4.3421 8.5134 115.4494 55.1655 31.2835 176.0905 22 G 4.0336 8.0200 106.6757 45.6787 0.0000 172.9108 23 S 4.8168 7.2523 111.5998 56.0225 66.8912 173.8618 24 P 4.5569 0.0000 0.0000 63.4295 31.9164 175.5511 25 A 4.3181 8.5918 123.9223 50.9117 19.7837 176.2737 26 I 4.2841 8.3808 123.1612 61.0009 38.6508 175.8612 27 N 4.1219 8.2370 124.0645 54.6196 37.7080 174.1812 28 V 4.2581 7.8994 118.0497 61.3915 33.7689 175.2537 29 A 4.5989 8.5456 129.9295 51.8672 19.9563 176.0934 30 V 4.8154 8.8026 121.8533 61.3468 35.1042 173.9684 31 H 5.1692 9.2256 124.1731 53.8715 32.3932 172.5901 32 V 4.9206 9.0907 123.3037 61.1607 34.3223 174.3094 33 F 5.5023 9.6832 125.1996 55.8134 43.2395 173.6311 34 R 4.5992 8.8885 122.4559 54.3031 32.1149 175.1474 35 K 4.0135 8.4315 128.0444 56.0358 32.6591 176.5774 36 A 4.1830 8.9224 130.8194 51.1074 19.4274 177.7937 37 A 3.9997 8.6783 125.6587 56.2282 18.3720 179.4869 *38 D 4.5258 8.0094 113.3628 54.4066 39.5320 180.1794 *39 D 4.7450 8.4279 117.0920 54.4905 38.0817 177.7764 40 T 4.4204 7.1708 109.1125 60.5375 72.4831 172.8806 41 W 5.2529 8.3610 121.8081 55.4729 30.2798 175.9581 42 E 4.6300 9.3953 126.0620 54.7472 30.5199 174.7114 43 P 4.4859 0.0000 0.0000 63.5593 31.7080 174.9980 44 F 4.8643 9.0062 123.5005 59.4881 41.3701 174.6390 45 A 4.6956 7.7843 117.9629 51.1497 22.5537 174.5360 46 S 4.6426 7.5809 112.8501 57.4673 66.2288 173.3209 47 G 3.9168 7.5823 106.0177 46.4450 0.0000 171.6356 48 K 5.2622 8.4357 118.7498 54.1352 34.8004 176.9323 49 T 4.1662 8.6368 115.3873 62.2406 70.0076 174.8289 50 S 4.6673 8.8589 119.2258 57.3576 65.0225 174.4556 51 E 3.9512 8.7328 118.8873 59.1973 28.8624 177.9951 52 S 4.5572 8.1928 113.0254 57.8114 63.3638 175.0953 53 G 3.9613 8.3389 107.7462 46.1454 0.0000 173.2628 54 E 5.1408 7.4293 114.9597 54.0052 33.5535 175.0860 55 L 4.8884 8.3971 123.3000 53.9544 44.9845 175.1334 56 H 4.9859 8.8123 122.5091 54.2341 32.2814 174.0579 57 G 3.8649 8.7338 104.7366 46.7226 0.0000 175.4373 58 L 4.0313 8.1345 120.1707 57.1110 41.8435 176.8753 59 T 4.6720 7.3704 105.4831 60.0866 71.8286 172.0754 60 T 4.7406 8.1804 111.7126 60.4577 72.0508 175.0805 61 E 4.1309 8.9950 120.0994 59.6918 30.0688 178.7124 62 E 4.2510 8.6189 116.6279 59.7545 29.7416 181.4120 63 E 4.3901 7.7885 113.0137 57.7669 30.4639 179.2042 64 F 4.9016 7.9048 120.9846 57.5444 37.7237 175.2038 65 V 4.0271 7.3919 116.3684 59.7950 33.0503 176.2299 66 E 4.6587 7.9584 120.2586 55.5195 29.8332 177.5633 67 G 3.8544 7.7716 109.5445 45.4069 0.0000 170.4351 68 I 4.6716 7.1481 119.8145 59.9306 39.0119 174.9530 69 Y 5.0454 8.6028 124.5897 55.8496 41.5195 174.4592 70 K 4.8215 8.9778 123.9127 54.4934 35.2375 174.6699 71 V 4.8106 8.9933 127.4589 61.1044 34.0704 173.6586 72 E 5.0439 9.4851 129.0531 54.4565 32.5555 174.2319 73 I 4.4767 8.9434 128.3860 59.5678 39.6040 175.5043 74 D 5.1178 9.2020 129.0956 54.0689 38.2038 176.3183 75 T 4.0993 7.9011 114.9401 63.7406 69.5114 176.7931 76 K 4.1419 8.1148 122.2196 59.6466 32.3426 178.7489 77 S 4.1495 8.3622 114.9621 61.6580 62.5504 175.7956 78 Y 3.9305 7.3866 119.8259 60.5349 38.7924 178.1326 79 W 4.3238 8.1561 119.6746 59.7042 29.2568 178.5594 80 K 3.9484 8.3999 118.3487 59.7323 31.3062 179.1772 81 A 4.0897 7.9688 119.5558 54.3524 18.3363 178.6227 82 L 4.3446 7.5206 115.5871 54.1933 41.8713 177.2104 83 G 3.9448 7.8475 106.7934 46.2210 0.0000 173.5233 84 I 4.5316 7.7968 119.2879 58.8542 39.8333 175.2755 85 S 4.4641 8.7150 120.2546 56.9202 63.7109 172.0276 86 P 4.6287 0.0000 0.0000 60.9938 33.3905 175.3648 87 F 3.8880 8.5044 121.6416 60.8599 39.5116 176.1639 88 H 4.4213 7.9075 115.8988 55.1181 29.3861 175.4595 89 E 4.0002 8.7384 122.6417 59.4491 29.4840 176.2967 90 H 4.6830 7.3165 110.7979 55.6605 30.9961 173.2136 91 A 4.5016 8.2554 120.2177 49.9654 21.1090 175.3294 92 E 5.0848 8.8851 121.3238 54.3931 32.9852 175.5091 93 V 4.4778 8.9826 124.0952 61.0808 34.2252 174.2212 94 V 5.0915 8.6530 127.7400 61.1531 33.7228 174.2210 95 F 5.1178 8.7613 121.8009 56.2291 42.1068 172.8696 96 T 5.0205 8.7347 115.4238 61.8806 70.3628 174.0437 97 A 4.8761 9.2057 129.1233 49.8679 20.6209 176.0205 98 N 5.2272 8.8521 119.1048 51.7787 40.7017 173.7367 99 D 4.8860 8.5698 115.1893 54.6138 41.3028 177.0046 100 S 4.4667 8.5774 115.3639 59.1591 62.7743 174.5485 *103 R 4.1408 7.6877 121.8421 56.9179 31.0177 174.5393 104 R 4.7373 7.7813 118.1795 56.6048 31.4145 171.0531 105 Y 4.9031 8.9359 121.8731 55.7001 40.5430 174.7457 106 T 4.7136 8.6843 121.3488 61.8307 71.3201 173.4483 107 I 4.7157 8.6356 127.4742 59.6774 39.2259 174.4103 108 A 5.3169 9.0194 129.6162 50.0404 21.8406 175.0462 109 A 5.1252 8.8757 122.3187 50.0249 22.9557 174.6417 110 L 4.8672 9.0208 124.5111 53.3070 44.4523 174.9259 111 L 5.4248 9.0004 126.7776 53.3466 44.2381 175.8763 112 S 5.1371 9.4077 118.6407 56.0753 67.1116 173.3099 113 P 3.2526 0.0000 0.0000 65.3556 31.0899 177.7463 114 Y 4.5371 7.6504 111.7573 57.1097 38.5206 175.1045 115 S 4.6179 7.9839 113.0647 57.5053 65.8765 173.2228 116 Y 5.5490 7.8856 124.3655 55.6363 41.1359 173.8955 117 S 4.9565 9.1067 114.4639 56.9277 66.8732 172.6209 118 T 5.1780 8.4367 114.1342 60.9069 70.3803 172.9722 119 T 4.8324 9.2126 123.6982 61.7404 73.1289 172.4107 120 A 5.0469 8.6082 126.0672 50.2044 21.4286 176.1048 121 V 4.1529 8.8058 123.2442 61.1793 33.6922 174.5917 122 V 4.6687 8.3443 128.7193 61.1541 33.5740 175.3152 123 T 4.2339 8.3200 117.8508 61.8383 68.9450 173.7973 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 10 C 8.33 4.49 0.00 2.94 2.95 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 11 P 0.00 4.37 0.00 2.19 2.37 0.00 3.79 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 1.87 2.12 0.00 12 L 8.25 4.86 0.00 0.71 1.00 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.46 5.01 0.00 1.78 1.83 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 14 V 8.14 4.75 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.89 0.00 0.00 15 K 9.14 4.77 0.00 1.71 1.55 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.45 7.81 16 V 8.87 4.78 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 0.76 0.00 0.00 0.79 0.00 0.00 17 L 8.86 4.97 0.00 1.58 1.50 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 18 D 8.86 5.11 0.00 2.64 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 19 A 9.24 4.28 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 20 V 8.58 3.82 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.99 0.00 0.00 21 R 8.51 4.34 0.00 1.96 2.01 0.00 3.52 0.00 0.00 3.53 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 22 G 8.02 4.03 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 0.00 0.00 0.00 23 S 7.25 4.82 0.00 3.89 3.96 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 24 P 0.00 4.56 0.00 2.09 2.18 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 25 A 8.59 4.32 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 26 I 8.38 4.28 1.91 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 1.36 0.61 0.92 0.00 0.00 27 N 8.24 4.12 0.00 2.84 2.86 0.00 0.00 7.08 7.77 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 28 V 7.90 4.26 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 0.82 0.00 0.00 0.53 0.00 0.00 29 A 8.55 4.60 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 30 V 8.80 4.82 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.92 0.00 0.00 31 H 9.23 5.17 0.00 3.12 2.66 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 9.09 4.92 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 1.38 0.00 0.00 0.97 0.00 0.00 33 F 9.68 5.50 0.00 2.84 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 34 R 8.89 4.60 0.00 1.33 1.73 0.00 2.71 0.00 0.00 2.98 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.78 0.00 35 K 8.43 4.01 0.00 1.41 1.27 0.00 1.43 0.00 0.00 1.19 0.00 0.00 2.59 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.30 0.21 7.81 36 A 8.92 4.18 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 37 A 8.68 4.00 1.23 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 *38 D 8.01 4.53 0.00 2.71 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.43 4.75 0.00 2.83 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 40 T 7.17 4.42 4.17 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 0.00 0.00 1.17 0.00 0.00 41 W 8.36 5.25 0.00 2.95 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 42 E 9.40 4.63 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 43 P 0.00 4.49 0.00 1.96 1.95 0.00 3.76 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 2.13 2.30 0.00 44 F 9.01 4.86 0.00 3.13 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 45 A 7.78 4.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.58 4.64 0.00 3.63 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.58 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 0.00 0.00 0.00 48 K 8.44 5.26 0.00 1.58 1.67 0.00 1.94 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.29 1.31 7.81 49 T 8.64 4.17 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 1.16 0.00 0.00 50 S 8.86 4.67 0.00 3.97 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 51 E 8.73 3.95 0.00 1.97 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 2.31 2.24 0.00 52 S 8.19 4.56 0.00 4.01 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 53 G 8.34 3.96 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 0.00 0.00 0.00 54 E 7.43 5.14 0.00 1.95 1.68 0.00 0.00 0.00 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 2.44 0.00 55 L 8.40 4.89 0.00 1.66 1.38 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.81 4.99 0.00 2.98 3.16 0.00 6.04 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 G 8.73 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 58 L 8.13 4.03 0.00 1.58 1.71 0.87 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 59 T 7.37 4.67 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 1.46 0.00 0.00 60 T 8.18 4.74 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 1.21 0.00 0.00 61 E 9.00 4.13 0.00 2.01 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 2.23 1.88 0.00 62 E 8.62 4.25 0.00 1.98 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 2.23 1.89 0.00 63 E 7.79 4.39 0.00 2.03 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 2.25 2.11 0.00 64 F 7.90 4.90 0.00 3.10 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 65 V 7.39 4.03 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 0.86 0.00 0.00 0.96 0.00 0.00 66 E 7.96 4.66 0.00 1.92 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 2.33 2.41 0.00 67 G 7.77 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 68 I 7.15 4.67 1.74 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 1.32 0.67 1.12 0.00 0.00 69 Y 8.60 5.05 0.00 1.96 2.58 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 0.00 0.00 0.00 0.00 70 K 8.98 4.82 0.00 0.79 0.74 0.00 1.32 0.00 0.00 1.06 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.89 1.06 7.81 71 V 8.99 4.81 2.18 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 0.94 0.00 0.00 1.20 0.00 0.00 72 E 9.49 5.04 0.00 2.06 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 2.12 2.01 0.00 73 I 8.94 4.48 1.74 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 1.03 0.53 0.79 0.00 0.00 74 D 9.20 5.12 0.00 2.77 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.90 4.10 4.46 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 1.16 0.00 0.00 76 K 8.11 4.14 0.00 2.19 1.93 0.00 1.80 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.58 7.81 77 S 8.36 4.15 0.00 3.96 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 78 Y 7.39 3.93 0.00 2.83 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 79 W 8.16 4.32 0.00 3.51 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.40 3.95 0.00 1.96 1.90 0.00 1.72 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.75 1.66 7.81 81 A 7.97 4.09 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 82 L 7.52 4.34 0.00 1.77 1.70 0.33 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.85 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 0.00 0.00 0.00 84 I 7.80 4.53 2.14 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.77 0.00 0.00 85 S 8.72 4.46 0.00 4.01 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 86 P 0.00 4.63 0.00 2.26 2.13 0.00 3.76 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 1.98 2.12 0.00 87 F 8.50 3.89 0.00 1.51 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 88 H 7.91 4.42 0.00 3.31 3.51 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.74 4.00 0.00 1.76 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 2.18 2.16 0.00 90 H 7.32 4.68 0.00 3.24 3.26 0.00 5.08 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.26 4.50 0.16 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 0.00 0.00 92 E 8.89 5.08 0.00 1.81 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 2.31 2.33 0.00 93 V 8.98 4.48 2.18 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 1.05 0.00 0.00 0.98 0.00 0.00 94 V 8.65 5.09 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 1.09 0.00 0.00 0.87 0.00 0.00 95 F 8.76 5.12 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 96 T 8.73 5.02 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 1.29 0.00 0.00 97 A 9.21 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 N 8.85 5.23 0.00 2.96 2.84 0.00 0.00 6.16 8.06 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 99 D 8.57 4.89 0.00 2.70 2.75 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 0.00 0.00 0.00 100 S 8.58 4.47 0.00 3.92 3.89 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 *103 R 7.69 4.14 0.00 1.42 1.95 0.00 3.13 0.00 0.00 3.07 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 104 R 7.78 4.74 0.00 1.51 1.80 0.00 3.22 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 105 Y 8.94 4.90 0.00 2.91 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 0.00 106 T 8.68 4.71 4.20 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 1.17 0.00 0.00 107 I 8.64 4.72 1.81 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.97 0.87 0.00 0.00 108 A 9.02 5.32 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 0.00 109 A 8.88 5.13 1.16 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 0.00 0.00 110 L 9.02 4.87 0.00 1.80 1.60 0.97 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 111 L 9.00 5.42 0.00 1.80 2.02 0.55 0.95 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 0.00 112 S 9.41 5.14 0.00 3.91 3.71 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 0.00 113 P 0.00 3.25 0.00 2.12 1.82 0.00 3.27 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.97 0.00 114 Y 7.65 4.54 0.00 2.80 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 0.00 115 S 7.98 4.62 0.00 3.80 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.89 5.55 0.00 3.11 2.94 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 0.00 117 S 9.11 4.96 0.00 3.91 3.97 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 0.00 118 T 8.44 5.18 4.39 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 1.33 0.00 0.00 119 T 9.21 4.83 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 1.21 0.00 0.00 120 A 8.61 5.05 1.13 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 0.00 0.00 0.00 0.00 0.00 121 V 8.81 4.15 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 0.89 0.00 0.00 0.90 0.00 0.00 122 V 8.34 4.67 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 0.37 0.00 0.00 0.82 0.00 0.00 123 T 8.32 4.23 4.19 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.