NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3749 8.3049 120.3441 55.6301 33.3656 174.9629 2 K 3.9019 8.0001 120.4697 55.6941 35.9536 175.4303 3 T 3.9858 7.0698 123.3771 66.0324 69.6933 176.1454 4 Y 4.2228 5.3700 119.5845 59.7280 39.6455 177.2026 5 V 3.3214 8.0758 119.9813 58.2769 33.1049 174.7645 6 P 4.6970 0.0000 0.0000 62.3392 33.3435 174.9164 7 K 4.5569 8.2573 115.6392 55.3229 36.1429 175.2456 8 Q 3.7786 8.2615 119.3013 55.8874 27.6462 177.8495 9 V 3.9713 8.0776 122.9929 61.6075 32.7106 175.3771 10 E 4.2180 8.5580 126.3914 54.0937 29.0456 174.1522 11 P 4.3676 0.0000 0.0000 63.3111 31.4511 175.9299 12 R 4.4139 8.6646 124.1750 55.8475 31.4176 175.0106 13 W 5.2748 8.2595 121.8932 55.2977 31.5570 175.8059 14 V 4.5881 8.9193 121.9122 61.2576 34.8270 173.9227 15 L 5.4526 8.1452 127.9800 53.0771 45.2744 174.4705 16 I 4.2446 7.3953 120.4327 60.6639 41.3143 171.9753 17 D 5.3214 8.2637 121.7137 53.7856 42.4266 175.6251 18 A 4.4585 8.0107 132.0854 56.6022 19.5474 181.4931 19 E 3.7231 8.2777 121.9134 59.8243 31.1853 178.9263 20 G 4.0422 7.7255 107.5639 45.2123 0.0000 172.9697 21 K 4.6254 7.9837 119.5585 53.8017 35.6816 174.8921 22 T 4.7842 8.5424 114.0096 60.4227 69.2478 174.1803 23 L 4.2317 8.3203 127.1552 56.8986 41.2597 176.2331 24 G 4.4376 8.9487 116.7214 46.2600 0.0000 176.2225 25 R 3.9352 7.6235 118.5588 57.9980 30.5959 177.9082 26 L 4.1430 8.1445 119.7902 57.3067 42.8794 178.1611 27 A 3.9707 8.3124 119.8362 56.4210 18.3122 179.5470 28 T 3.7157 8.1301 113.6008 66.9427 68.4926 176.3589 29 K 4.0001 8.1209 119.6816 59.7152 31.9458 179.6161 30 I 3.7141 7.7808 118.9308 63.6524 37.1681 178.0614 31 A 4.2044 7.6735 121.3245 55.2864 18.5702 179.4231 32 T 3.7548 8.2394 114.4993 66.5671 68.1202 176.3132 33 L 3.9392 8.0419 122.1295 57.6051 42.2924 178.6066 34 L 3.9692 7.9366 118.5714 55.7854 41.5233 176.9387 35 R 4.9949 7.1827 116.8072 54.0542 33.0741 176.9892 36 G 4.0294 8.7682 109.9934 45.4182 0.0000 173.5964 37 K 3.5150 7.5707 119.9875 58.1214 33.3234 177.4772 38 H 4.4893 7.9227 113.6987 57.5117 29.4987 176.2276 39 R 4.0566 7.3416 117.7002 54.9475 29.7687 175.5035 40 P 4.6093 0.0000 0.0000 63.7956 30.8908 176.6624 41 D 4.2758 8.8592 121.0061 56.8225 41.3012 178.0304 42 W 4.3228 7.3166 125.2975 57.6162 28.9371 174.8605 43 T 3.9122 7.2220 123.4777 60.5253 69.5402 172.7423 44 P 3.3668 0.0000 0.0000 64.4083 31.0882 177.0690 45 N 4.9088 7.6840 114.6304 52.2139 37.5089 175.2491 46 V 4.0694 7.3297 118.1379 60.8207 33.3500 173.3195 47 A 3.5365 7.9882 124.2517 52.2364 14.4164 176.2893 48 M 4.7337 8.0358 115.3293 54.5128 32.4793 177.0369 49 G 4.4439 8.0238 105.6403 46.3551 0.0000 173.5367 50 D 4.9793 8.2297 120.8900 54.0795 42.2523 175.8407 51 F 4.1310 8.6778 118.9548 56.0425 40.4645 175.3067 52 V 4.6510 7.9769 123.6985 61.0022 34.0180 174.4125 53 V 4.8471 9.2482 127.7967 61.2435 34.3145 174.0413 54 V 4.8004 8.5778 128.9412 61.6127 33.1290 175.9281 55 V 4.2161 8.2128 128.2878 60.6795 33.7667 176.6862 56 N 4.1478 8.2218 114.3037 55.0245 37.0204 175.0914 57 A 4.4452 8.2858 134.4737 50.5147 18.8747 177.1572 58 D 3.9445 9.5998 113.6285 56.0385 41.0263 175.8986 59 K 3.9274 8.6667 118.3738 58.4100 31.5585 175.7136 60 I 3.9994 9.3643 109.2127 60.3845 37.7710 176.4864 61 R 4.4434 8.8868 124.9590 56.2462 31.8337 176.2882 62 V 4.5088 7.9196 120.1153 60.9733 32.0664 174.7408 63 T 3.9649 8.8300 122.6147 63.2480 69.2045 175.2439 64 G 3.9223 8.3024 110.9001 46.3703 0.0000 173.8999 65 K 4.2837 8.1809 115.3904 55.7739 31.2467 176.4359 66 K 4.2952 8.1890 122.6683 57.1378 33.2402 176.2579 67 L 4.7201 7.6530 120.6574 54.4903 42.7987 176.9454 68 E 4.1829 9.0860 122.9357 56.5677 28.3114 175.7234 69 Q 4.1445 7.6341 115.8712 57.7149 29.6667 176.0721 70 K 4.1047 7.9056 121.1122 56.1658 33.0560 175.8056 71 I 4.9768 8.0975 128.1825 59.7645 39.7259 174.8688 72 Y 4.4038 10.6494 124.1387 57.1825 39.9266 174.6748 73 T 5.2168 8.4828 118.0145 62.0079 71.9359 173.8157 74 R 4.6522 8.9028 123.3115 54.7414 34.5364 173.4719 75 Y 5.1304 8.7541 125.3006 55.5879 40.5516 174.7998 76 S 4.1783 8.4650 122.5152 57.5135 64.1309 175.9029 77 G 3.7283 8.8970 112.4393 47.8240 0.0000 173.0185 78 Y 4.2774 8.3937 118.3512 56.3382 38.7825 173.1757 79 P 4.5168 0.0000 0.0000 63.9670 31.5552 176.7805 80 G 3.9885 9.0309 111.5055 46.7421 0.0000 173.2605 81 G 4.0298 8.1851 106.5034 44.6558 0.0000 173.4057 82 L 4.9503 8.0098 122.6475 53.8119 43.0262 175.7385 83 K 4.5207 9.6323 127.4756 55.1184 33.9320 175.7393 84 K 4.8715 8.7406 124.6342 54.7978 33.9231 175.6427 85 I 4.7410 8.7674 126.5733 58.7552 40.2059 173.7007 86 P 4.9800 0.0000 0.0000 61.6793 32.9059 176.4674 87 L 4.1107 9.2103 122.9099 58.9158 41.7798 179.0339 88 E 3.9405 8.4076 117.4531 60.0187 29.2616 179.5233 89 K 4.0728 7.6875 116.1985 58.8848 32.1789 178.8235 90 M 4.1912 8.3172 120.1729 57.8123 32.1542 178.3132 91 L 4.1889 7.7956 118.2555 57.0810 42.0373 178.4416 92 A 4.2140 8.1328 118.9870 52.5579 18.5032 177.1965 93 T 3.8264 7.4280 108.0130 62.8198 71.6066 172.1864 94 H 4.9313 8.5389 125.2031 56.9171 25.5692 174.9582 95 P 4.5498 0.0000 0.0000 64.8440 31.6853 176.8880 96 E 4.0762 8.1430 116.9468 58.7037 29.6060 178.6053 97 R 4.2368 7.7899 121.5122 58.2806 29.6669 178.1574 98 V 3.4298 7.4016 118.2995 65.7191 31.4012 177.6136 99 L 4.1084 7.7572 119.1038 57.7751 41.9298 178.0353 100 E 4.0938 8.0352 118.1038 60.6521 29.4026 178.0977 101 H 4.1213 9.3697 118.7798 57.5611 29.5645 177.7411 102 A 3.9190 7.9541 124.2267 54.8610 19.2019 179.6142 103 V 3.6475 8.0733 116.9407 66.0048 31.7384 177.7141 104 K 3.5291 7.9442 120.1155 59.6928 31.8545 178.6795 105 G 3.7710 7.8170 102.5713 46.3848 0.0000 173.6162 106 M 4.6818 8.4505 116.5916 54.2856 33.8113 175.4412 107 L 4.6249 7.6601 118.9240 52.0499 44.0794 174.5431 108 P 4.4277 0.0000 0.0000 63.1286 31.7249 177.7896 109 K 4.1118 8.5061 119.1644 58.2626 32.2253 178.2754 110 G 3.9183 7.7718 105.6112 43.4896 0.0000 172.1300 111 P 4.3718 0.0000 0.0000 64.9470 31.1089 178.8986 112 L 4.0320 7.8956 119.4001 58.1317 42.1440 178.9395 113 G 4.2137 8.0458 105.8362 46.4387 0.0000 175.0995 114 R 4.1243 7.3131 119.5598 58.9035 30.7340 177.8917 115 R 4.0199 7.9917 118.5425 59.3062 30.1129 178.4503 116 L 3.8076 8.4700 118.9941 57.8157 41.5717 179.1695 117 F 4.3315 7.6705 118.4805 60.4472 39.2975 176.6731 118 K 3.8133 7.4001 116.8408 59.2228 32.5483 178.6348 119 R 3.8085 8.0472 119.0655 55.9125 29.3663 175.8067 120 L 4.7336 7.3515 119.6112 53.4156 44.8971 175.8361 121 K 4.1572 9.0101 127.4615 54.6534 33.9299 175.1410 122 V 4.4230 7.8007 125.2006 61.3948 32.7811 174.2101 123 Y 4.7578 8.6971 125.8754 55.5161 40.6313 176.6136 124 A 4.8689 8.4095 128.3756 51.0562 19.1413 176.5070 125 G 4.0010 7.6990 116.9262 43.9531 0.0000 174.4327 126 P 4.2939 0.0000 0.0000 62.7014 31.0025 174.6556 127 D 4.5158 9.0224 117.7267 55.5827 37.6518 174.2266 128 H 3.8868 8.2789 120.4616 52.4497 29.2011 173.8990 129 P 3.9246 0.0000 0.0000 64.4296 31.0505 175.5070 130 H 4.6743 7.7824 114.5705 54.1564 29.1236 173.7150 131 Q 4.3985 8.4093 124.4535 53.7929 28.6220 174.5885 132 A 4.3097 7.6391 123.8814 52.9424 21.0623 176.1674 133 Q 4.4219 6.5123 112.4324 57.4783 32.7235 172.1532 134 R 5.4371 8.6630 124.2869 56.1863 29.2294 173.5614 135 P 4.5041 0.0000 0.0000 62.5877 30.3766 175.8739 136 E 4.2089 7.9198 120.9378 55.8141 30.9121 176.2541 137 K 4.7428 8.2572 120.9896 54.8903 36.5072 176.7907 138 L 4.5561 8.2376 121.9433 53.8659 41.4254 177.3814 *139 E 4.1515 7.9115 117.4139 56.0572 30.3597 177.2593 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 1 M 8.30 4.37 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 2 K 8.00 3.90 0.00 1.66 1.25 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.37 1.52 7.81 3 T 7.07 3.99 4.07 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 1.15 0.00 0.00 4 Y 5.37 4.22 0.00 3.13 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 5 V 8.08 3.32 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 0.79 0.00 0.00 0.93 0.00 0.00 6 P 0.00 4.70 0.00 2.22 2.17 0.00 3.74 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 1.98 1.98 0.00 7 K 8.26 4.56 0.00 1.72 1.70 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.46 7.81 8 Q 8.26 3.78 0.00 2.06 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.93 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 9 V 8.08 3.97 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 0.82 0.00 0.00 1.00 0.00 0.00 10 E 8.56 4.22 0.00 1.98 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 2.40 0.00 11 P 0.00 4.37 0.00 2.36 2.48 0.00 3.89 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 2.06 2.08 0.00 12 R 8.66 4.41 0.00 2.02 2.16 0.00 3.22 0.00 0.00 3.40 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 13 W 8.26 5.27 0.00 3.21 3.21 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 14 V 8.92 4.59 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 0.96 0.00 0.00 0.97 0.00 0.00 15 L 8.15 5.45 0.00 1.86 1.50 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 I 7.40 4.24 1.88 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 1.24 0.94 0.96 0.00 0.00 17 D 8.26 5.32 0.00 2.71 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 18 A 8.01 4.46 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 19 E 8.28 3.72 0.00 2.22 2.59 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 2.29 2.33 0.00 20 G 7.73 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.98 4.63 0.00 1.93 1.60 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.33 7.81 22 T 8.54 4.78 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 1.22 0.00 0.00 23 L 8.32 4.23 0.00 1.80 1.74 1.01 0.61 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 24 G 8.95 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 0.00 0.00 0.00 0.00 25 R 7.62 3.94 0.00 2.04 2.01 0.00 3.36 0.00 0.00 3.14 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 26 L 8.14 4.14 0.00 1.73 1.71 0.92 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 27 A 8.31 3.97 1.36 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 0.00 0.00 0.00 28 T 8.13 3.72 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 1.18 0.00 0.00 29 K 8.12 4.00 0.00 1.90 1.83 0.00 1.66 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.47 7.81 30 I 7.78 3.71 2.00 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 1.45 0.61 0.90 0.00 0.00 31 A 7.67 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.24 3.75 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 1.11 0.00 0.00 33 L 8.04 3.94 0.00 2.06 1.72 0.70 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.94 3.97 0.00 2.00 1.67 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.18 4.99 0.00 1.60 2.04 0.00 3.20 0.00 0.00 3.10 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.82 0.00 36 G 8.77 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 37 K 7.57 3.52 0.00 1.68 1.65 0.00 0.61 0.00 0.00 0.97 0.00 0.00 2.31 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.08 0.93 7.81 38 H 7.92 4.49 0.00 3.30 3.36 0.00 5.58 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.34 4.06 0.00 2.20 2.13 0.00 3.12 0.00 0.00 3.45 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.43 0.00 40 P 0.00 4.61 0.00 2.22 2.20 0.00 3.78 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 41 D 8.86 4.28 0.00 2.75 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 42 W 7.32 4.32 0.00 3.41 3.24 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 43 T 7.22 3.91 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 1.03 0.00 0.00 44 P 0.00 3.37 0.00 2.00 1.94 0.00 3.11 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.73 0.00 45 N 7.68 4.91 0.00 2.72 2.80 0.00 0.00 5.82 7.68 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 46 V 7.33 4.07 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 0.73 0.00 0.00 0.90 0.00 0.00 47 A 7.99 3.54 1.36 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 0.00 0.00 0.00 48 M 8.04 4.73 0.00 2.02 2.17 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.58 0.00 49 G 8.02 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 0.00 0.00 0.00 0.00 50 D 8.23 4.98 0.00 2.58 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 51 F 8.68 4.13 0.00 1.51 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 4.65 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 0.98 0.00 0.00 0.88 0.00 0.00 53 V 9.25 4.85 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 1.33 0.00 0.00 1.33 0.00 0.00 54 V 8.58 4.80 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 0.95 0.00 0.00 0.94 0.00 0.00 55 V 8.21 4.22 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 0.77 0.00 0.00 1.01 0.00 0.00 56 N 8.22 4.15 0.00 2.85 3.50 0.00 0.00 6.87 7.96 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 57 A 8.29 4.45 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 58 D 9.60 3.94 0.00 2.92 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 59 K 8.67 3.93 0.00 2.07 2.03 0.00 1.82 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.37 7.81 60 I 9.36 4.00 1.89 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 1.42 0.99 0.00 0.00 61 R 8.89 4.44 0.00 1.85 1.90 0.00 3.29 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.73 0.00 62 V 7.92 4.51 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 0.68 0.00 0.00 0.96 0.00 0.00 63 T 8.83 3.96 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 64 G 8.30 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 65 K 8.18 4.28 0.00 1.87 1.86 0.00 1.56 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.45 7.81 66 K 8.19 4.30 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.40 1.58 7.81 67 L 7.65 4.72 0.00 1.71 1.74 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.09 4.18 0.00 2.14 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 2.54 2.26 0.00 69 Q 7.63 4.14 0.00 2.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.60 0.00 70 K 7.91 4.10 0.00 1.87 1.85 0.00 1.23 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.35 0.98 7.81 71 I 8.10 4.98 1.81 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 1.34 0.86 0.95 0.00 0.00 72 Y 10.65 4.40 0.00 3.06 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 73 T 8.48 5.22 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 1.31 0.00 0.00 74 R 8.90 4.65 0.00 1.77 1.80 0.00 3.07 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 75 Y 8.75 5.13 0.00 2.93 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 76 S 8.46 4.18 0.00 3.86 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 77 G 8.90 3.73 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 0.00 0.00 0.00 78 Y 8.39 4.28 0.00 2.94 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 79 P 0.00 4.52 0.00 2.11 2.06 0.00 3.94 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 2.06 2.11 0.00 80 G 9.03 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 0.00 0.00 0.00 81 G 8.19 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 82 L 8.01 4.95 0.00 1.76 1.66 1.09 0.66 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 83 K 9.63 4.52 0.00 1.92 1.75 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.56 7.81 84 K 8.74 4.87 0.00 1.63 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.45 7.81 85 I 8.77 4.74 1.97 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 1.32 1.04 0.96 0.00 0.00 86 P 0.00 4.98 0.00 2.25 2.19 0.00 3.77 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 2.09 1.97 0.00 87 L 9.21 4.11 0.00 1.84 1.82 1.00 1.05 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 88 E 8.41 3.94 0.00 2.07 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 0.00 2.44 2.55 0.00 89 K 7.69 4.07 0.00 1.91 1.89 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.49 1.65 7.81 90 M 8.32 4.19 0.00 1.81 2.09 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 1.85 2.56 0.00 91 L 7.80 4.19 0.00 1.69 1.70 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 92 A 8.13 4.21 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 0.00 0.00 0.00 0.00 0.00 0.00 93 T 7.43 3.83 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 1.25 0.00 0.00 94 H 8.54 4.93 0.00 3.37 3.34 0.00 5.95 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.55 0.00 2.27 2.41 0.00 3.86 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 2.08 1.88 0.00 96 E 8.14 4.08 0.00 2.29 2.26 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 2.36 2.30 0.00 97 R 7.79 4.24 0.00 1.92 2.03 0.00 3.06 0.00 0.00 3.14 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.47 0.00 98 V 7.40 3.43 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 0.96 0.00 0.00 0.83 0.00 0.00 99 L 7.76 4.11 0.00 1.73 1.64 0.94 1.01 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 0.00 100 E 8.04 4.09 0.00 2.36 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 0.00 2.51 2.44 0.00 101 H 9.37 4.12 0.00 3.36 3.26 0.00 5.62 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 0.00 102 A 7.95 3.92 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 0.00 103 V 8.07 3.65 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 1.04 0.00 0.00 1.01 0.00 0.00 104 K 7.94 3.53 0.00 1.52 1.62 0.00 0.97 0.00 0.00 1.25 0.00 0.00 2.63 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.02 0.21 7.81 105 G 7.82 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 0.00 0.00 0.00 106 M 8.45 4.68 0.00 1.90 2.10 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.44 0.00 107 L 7.66 4.62 0.00 1.76 1.61 1.05 0.80 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 0.00 108 P 0.00 4.43 0.00 2.21 2.02 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 2.20 2.18 0.00 109 K 8.51 4.11 0.00 1.74 1.86 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 110 G 7.77 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 0.00 111 P 0.00 4.37 0.00 2.17 2.12 0.00 3.60 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 2.11 2.14 0.00 112 L 7.90 4.03 0.00 1.75 1.67 0.91 1.17 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 0.00 113 G 8.05 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 0.00 114 R 7.31 4.12 0.00 2.03 2.02 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 115 R 7.99 4.02 0.00 2.10 2.10 0.00 3.14 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 116 L 8.47 3.81 0.00 1.69 1.66 0.97 0.91 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 0.00 117 F 7.67 4.33 0.00 2.92 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 0.00 118 K 7.40 3.81 0.00 1.88 1.73 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.07 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.83 7.81 119 R 8.05 3.81 0.00 1.31 0.75 0.00 2.21 0.00 0.00 2.64 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.23 0.00 120 L 7.35 4.73 0.00 1.36 1.25 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 121 K 9.01 4.16 0.00 1.91 1.80 0.00 1.49 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.83 1.47 7.81 122 V 7.80 4.42 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 0.84 0.00 0.00 0.89 0.00 0.00 123 Y 8.70 4.76 0.00 3.05 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 0.00 124 A 8.41 4.87 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 0.00 125 G 7.70 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 0.00 126 P 0.00 4.29 0.00 2.21 2.18 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 127 D 9.02 4.52 0.00 2.70 3.01 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 0.00 128 H 8.28 3.89 0.00 3.13 3.41 0.00 5.49 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 3.92 0.00 2.07 2.08 0.00 2.20 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.67 0.00 130 H 7.78 4.67 0.00 3.04 3.33 0.00 5.70 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 0.00 131 Q 8.41 4.40 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.88 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 132 A 7.64 4.31 0.76 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 0.00 0.00 133 Q 6.51 4.42 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 7.80 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 134 R 8.66 5.44 0.00 2.16 2.21 0.00 3.15 0.00 0.00 3.35 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 135 P 0.00 4.50 0.00 2.11 2.13 0.00 4.12 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 2.10 2.14 0.00 136 E 7.92 4.21 0.00 1.95 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 2.33 2.41 0.00 137 K 8.26 4.74 0.00 1.72 1.63 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.45 7.81 138 L 8.24 4.56 0.00 1.59 1.59 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 *139 E 7.91 4.15 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.