NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 3.9083 8.1227 123.5835 49.3632 20.7451 182.7624 10 R 2.9051 7.1610 110.4641 54.6592 33.1285 176.7053 11 F 3.9040 8.5965 120.1391 59.1485 39.2899 176.5237 12 R 4.0417 7.0482 119.4348 57.3525 30.6006 178.3181 13 K 3.8146 8.5618 117.8566 58.0459 32.2005 177.3667 14 V 3.9755 7.0214 119.1461 60.6902 32.3395 176.0212 15 D 4.6609 8.4868 123.9409 52.5642 40.1386 176.5289 16 V 3.8285 8.1725 126.3478 65.3775 32.3542 178.0343 17 D 4.4672 8.2974 119.7082 57.2899 40.9154 178.0580 18 E 3.9575 7.9780 118.0395 59.2354 29.4406 177.5040 19 Y 4.4349 7.6223 112.9937 57.4466 38.4716 174.9609 20 D 4.4263 8.4888 122.6669 54.1239 41.4649 175.1984 21 E 4.5471 8.6310 128.5238 54.6722 28.1789 174.8544 22 N 5.2934 7.8412 130.8716 53.3097 41.3118 175.3573 23 K 4.4146 7.3379 119.9378 55.3401 34.2313 175.1333 24 F 4.9841 8.5575 119.1014 56.4800 41.9419 175.1322 25 V 4.1948 6.9579 125.5154 61.0791 35.3570 173.9885 26 D 4.6622 7.7610 132.9477 53.8710 39.9388 177.6430 *40 G 3.9947 8.8812 115.5747 46.5915 0.0000 173.9044 41 E 3.8630 8.1402 120.9169 58.8662 29.4394 178.9888 42 V 3.6104 7.6697 117.6982 66.0985 31.7126 177.6530 43 D 4.3498 7.9672 118.0256 57.7235 40.7098 177.1867 44 S 4.2810 8.8722 115.4027 59.6729 62.1720 175.1999 45 C 3.8846 8.1697 119.4548 63.1501 28.3913 176.3375 46 L 3.9585 8.1955 121.8028 58.1930 41.5640 179.2294 47 R 4.2364 7.9555 113.1971 56.9239 29.6989 177.0301 48 Q 4.4102 7.2126 114.4501 54.8508 30.4549 176.7102 49 G 3.9535 8.5794 106.6613 46.3364 0.0000 174.9681 50 N 4.6655 8.3650 118.1963 58.7663 38.8757 179.1488 51 M 3.2446 7.1675 118.6404 56.9960 32.7117 177.9740 52 T 4.1527 8.1092 114.5180 67.3050 68.8606 176.1698 53 A 4.0560 8.2139 121.8636 55.0385 18.2387 179.4935 54 A 3.9369 7.9459 118.7956 55.8795 18.5034 178.5806 55 L 3.8175 8.3580 118.1813 59.0208 41.7323 178.8494 56 Q 3.9879 8.2089 118.6728 59.2340 29.0410 179.0582 57 A 4.1299 7.9471 120.4006 55.3230 18.5965 179.3148 58 A 4.0687 8.1985 119.3311 54.8764 18.2510 179.1276 59 L 4.3554 7.7490 114.5527 54.8395 41.7672 177.3276 60 K 4.0384 7.5285 120.8643 56.8891 33.2142 178.0391 61 N 3.9803 7.9583 116.7706 54.0717 34.5138 172.0279 62 P 4.5218 0.0000 0.0000 61.8711 32.7640 177.3380 63 P 4.4696 0.0000 0.0000 62.8767 31.1128 178.1437 64 I 3.6907 9.0297 122.2085 64.0409 37.0518 176.5785 65 N 4.9249 8.0205 114.2891 52.7866 39.5018 174.3327 66 T 4.3373 7.7181 109.4919 60.7332 69.9492 175.3971 67 K 4.0755 8.5792 123.9646 59.1358 32.5690 178.4310 68 S 4.2935 7.9372 115.2912 58.1208 63.8858 175.0245 69 Q 3.9776 8.8973 126.2459 59.1768 28.4749 177.5067 70 A 3.8886 8.2758 119.4341 56.3423 18.2274 179.5423 71 V 3.5894 8.4659 115.2390 64.4267 31.5574 178.9152 72 K 3.9588 7.8239 119.1150 59.5554 31.7959 179.0981 73 D 4.4165 8.9409 120.0331 57.1420 40.7043 178.7083 74 R 3.8799 8.3494 119.6151 59.3208 29.9552 178.4826 75 A 4.1119 8.2697 120.5359 55.2986 18.4455 179.8148 76 G 3.5947 7.9770 103.8733 47.9959 0.0000 176.0323 77 S 4.0838 7.7593 117.2784 61.5888 62.6339 176.6997 78 I 3.5831 7.0146 119.9006 64.1781 37.1197 178.3954 79 V 3.4038 7.6367 119.1743 65.7534 31.3909 177.6517 80 L 3.6768 8.3529 121.0904 58.1488 41.5324 178.7841 81 K 3.8300 8.6389 120.1400 59.3606 31.6935 178.5096 82 V 3.7899 7.3027 117.5313 65.2984 31.6611 177.6874 83 L 3.2996 7.2933 117.4530 56.9491 41.6205 179.0219 84 I 4.0404 7.5576 119.9164 64.2696 37.0138 178.1097 85 S 4.3075 7.5324 110.9756 58.9881 62.7763 174.2290 86 F 4.3835 7.7911 121.0389 56.1396 39.6039 175.7646 87 K 4.3085 8.8859 122.9632 56.4165 32.1354 179.2246 88 A 3.6716 7.6473 126.3227 54.8178 20.0604 178.8486 89 N 4.4510 7.9370 111.7249 55.9296 38.8838 176.3096 90 D 4.6067 9.6744 117.4298 55.6873 40.9830 177.9485 91 I 2.9753 7.2399 121.1618 63.3193 36.7461 177.3139 92 E 3.6705 7.8064 119.1472 59.5301 29.3600 178.9788 93 K 3.7659 8.0577 117.3264 59.7436 32.3507 177.6262 94 A 4.1627 7.6492 120.3028 55.2728 18.3191 179.3421 95 V 3.5228 7.6022 116.5034 66.5057 31.3128 177.8805 96 Q 4.2005 8.1395 113.3308 56.7536 28.4070 177.3119 97 S 4.5987 8.1861 115.3466 57.4154 64.3043 173.7425 98 L 4.6232 7.2085 123.3587 52.9108 43.2256 176.1731 99 D 4.6487 8.3513 121.9255 52.6075 40.6124 177.1349 100 K 3.8851 8.7998 119.0090 60.1212 32.0227 179.1517 101 N 4.5718 8.2434 115.5945 55.5303 38.3419 177.6562 102 G 3.5759 8.5094 108.2277 47.7719 0.0000 175.9959 103 V 3.6354 7.8379 120.7804 65.6656 31.4769 177.6359 104 D 4.2931 8.1233 118.5263 57.4403 40.7527 178.5580 105 L 3.8984 7.7930 120.2657 57.8399 42.0139 178.5376 106 L 4.0541 8.2397 120.5880 58.6296 42.1243 178.4503 107 M 4.1476 8.6297 118.3319 58.9380 32.1003 178.5038 108 K 4.0044 7.9323 118.3438 59.5727 32.1201 178.9745 109 Y 4.1741 7.7857 117.0711 60.9203 37.7511 178.3563 110 I 3.4618 8.2252 121.2276 64.8297 37.0429 178.1022 111 Y 3.6356 7.5478 115.1987 60.5622 37.8612 178.3831 112 K 4.2324 8.0399 120.7367 59.3438 32.2414 178.9032 113 G 3.6356 8.2131 106.3098 48.0635 0.0000 175.4297 114 F 4.5924 7.6685 118.7787 59.3649 38.9720 175.9261 115 E 4.7056 7.8596 117.0248 56.0617 29.5284 177.5494 116 S 4.7279 8.0638 115.9148 57.0687 65.0147 172.0619 117 P 4.5456 0.0000 0.0000 62.5314 32.2384 175.2599 118 S 4.5070 8.3363 117.8803 59.1699 67.6796 177.3138 *121 S 4.5276 7.8370 115.0317 58.2238 64.5978 175.6967 122 S 4.2586 7.9825 114.1832 59.8010 61.1517 175.2108 123 A 4.2606 7.9502 123.0345 54.6909 18.7530 179.4528 124 V 3.9723 7.6764 117.2958 64.7266 31.9080 178.5291 125 L 4.1508 8.4875 119.8421 57.4314 41.3505 179.1987 126 L 4.5045 7.8928 118.0454 57.0365 41.4188 179.3217 127 Q 4.0476 7.5350 115.3238 58.5139 29.0121 177.8638 128 W 3.8330 8.4524 120.0410 60.2551 29.0422 177.7180 129 H 4.0356 8.9010 118.2892 59.3959 29.1084 176.5691 130 E 4.0130 8.0262 120.3306 59.4746 29.6225 179.2622 131 K 4.0079 8.2290 118.0407 59.4323 32.2053 179.0844 132 A 4.0084 8.1012 121.0917 55.2771 18.0653 179.4495 133 L 3.5981 8.3995 118.9698 58.0553 41.8899 178.9935 134 A 4.0323 7.8285 120.0181 54.3234 18.4019 179.1285 135 A 4.2626 7.7409 118.2968 55.0321 19.3763 179.5281 136 G 3.7212 8.6947 102.6427 44.4596 0.0000 174.8326 137 G 4.1352 7.5447 107.4916 45.3122 0.0000 175.0519 138 V 3.7794 8.1719 118.5366 64.3139 31.2428 178.1407 139 G 3.7964 8.0320 105.3473 46.3185 0.0000 175.3866 140 S 4.2422 7.9548 116.3439 61.0516 63.1024 176.4447 141 I 3.7753 7.5358 123.1299 64.1669 37.3018 177.8143 142 V 3.6046 7.6040 119.1386 66.5141 31.0849 178.3044 143 R 4.1053 7.6934 116.5469 57.9055 30.2253 178.8616 144 V 3.6641 8.6939 119.7883 65.7209 31.3290 177.9972 145 L 4.0054 7.7381 117.3828 57.3425 41.5288 177.7974 146 T 4.2391 7.7178 106.2980 61.2760 69.5207 174.3931 147 A 4.1815 7.3660 125.6740 52.6107 18.8953 177.5372 148 R 4.1418 8.6797 122.2305 57.9457 30.9495 177.0615 149 K 4.3007 7.8221 117.8723 55.2844 32.2778 175.5472 150 T 4.6192 7.9659 117.2362 59.5161 70.8041 173.9270 151 V 3.7259 8.0379 115.7806 61.6093 31.4790 176.4953 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 9 A 8.12 3.91 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 10 R 7.16 2.91 0.00 2.05 2.07 0.00 3.26 0.00 0.00 3.45 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 11 F 8.60 3.90 0.00 3.20 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 12 R 7.05 4.04 0.00 1.45 1.75 0.00 2.55 0.00 0.00 3.07 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.00 13 K 8.56 3.81 0.00 1.70 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.41 7.81 14 V 7.02 3.98 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 0.74 0.00 0.00 0.94 0.00 0.00 15 D 8.49 4.66 0.00 2.82 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 16 V 8.17 3.83 2.15 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 1.00 0.00 0.00 0.98 0.00 0.00 17 D 8.30 4.47 0.00 2.92 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 18 E 7.98 3.96 0.00 1.99 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 2.39 2.29 0.00 19 Y 7.62 4.43 0.00 2.95 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 20 D 8.49 4.43 0.00 2.68 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 21 E 8.63 4.55 0.00 1.99 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 2.27 2.28 0.00 22 N 7.84 5.29 0.00 3.06 2.86 0.00 0.00 7.14 7.61 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 23 K 7.34 4.41 0.00 1.96 1.77 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.50 1.41 7.81 24 F 8.56 4.98 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 25 V 6.96 4.19 1.85 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 0.74 0.00 0.00 0.81 0.00 0.00 26 D 7.76 4.66 0.00 2.61 1.90 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 *40 G 8.88 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 41 E 8.14 3.86 0.00 2.04 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 2.38 2.38 0.00 42 V 7.67 3.61 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 1.09 0.00 0.00 0.91 0.00 0.00 43 D 7.97 4.35 0.00 2.84 2.69 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 44 S 8.87 4.28 0.00 3.88 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 45 C 8.17 3.88 0.00 3.05 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 46 L 8.20 3.96 0.00 2.00 1.64 0.91 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.96 4.24 0.00 1.87 1.93 0.00 3.15 0.00 0.00 3.29 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.76 0.00 48 Q 7.21 4.41 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.73 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 49 G 8.58 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 50 N 8.36 4.67 0.00 2.87 2.84 0.00 0.00 6.96 7.64 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 51 M 7.17 3.24 0.00 0.82 1.65 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.58 0.00 52 T 8.11 4.15 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 53 A 8.21 4.06 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 54 A 7.95 3.94 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 55 L 8.36 3.82 0.00 1.99 2.02 0.88 0.99 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 56 Q 8.21 3.99 0.00 2.07 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.70 0.00 0.00 0.00 0.00 0.00 2.46 2.71 0.00 57 A 7.95 4.13 1.51 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 0.00 0.00 58 A 8.20 4.07 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 59 L 7.75 4.36 0.00 1.80 1.79 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 60 K 7.53 4.04 0.00 1.78 1.74 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 N 7.96 3.98 0.00 2.84 3.13 0.00 0.00 6.96 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 62 P 0.00 4.52 0.00 2.24 2.34 0.00 3.74 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 63 P 0.00 4.47 0.00 2.23 2.14 0.00 3.75 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.16 0.00 64 I 9.03 3.69 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.40 0.90 0.00 0.00 65 N 8.02 4.92 0.00 2.67 2.79 0.00 0.00 6.93 7.54 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 66 T 7.72 4.34 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 1.22 0.00 0.00 67 K 8.58 4.08 0.00 1.76 1.90 0.00 1.75 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.36 7.81 68 S 7.94 4.29 0.00 4.05 4.01 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 69 Q 8.90 3.98 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 70 A 8.28 3.89 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 71 V 8.47 3.59 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 0.89 0.00 0.00 0.94 0.00 0.00 72 K 7.82 3.96 0.00 1.96 1.93 0.00 1.80 0.00 0.00 1.64 0.00 0.00 3.24 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.48 1.71 7.81 73 D 8.94 4.42 0.00 2.88 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 74 R 8.35 3.88 0.00 1.89 2.10 0.00 3.10 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 1.62 1.65 0.00 75 A 8.27 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 G 7.98 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 0.00 0.00 0.00 77 S 7.76 4.08 0.00 3.97 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 78 I 7.01 3.58 1.87 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.58 0.84 0.00 0.00 79 V 7.64 3.40 1.61 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 0.32 0.00 0.00 0.00 0.00 0.00 80 L 8.35 3.68 0.00 1.82 1.75 0.82 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.64 3.83 0.00 1.84 1.97 0.00 1.65 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 82 V 7.30 3.79 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 1.02 0.00 0.00 0.93 0.00 0.00 83 L 7.29 3.30 0.00 1.12 0.37 0.34 -0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.56 4.04 1.86 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 1.51 0.79 0.93 0.00 0.00 85 S 7.53 4.31 0.00 4.04 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 86 F 7.79 4.38 0.00 3.67 3.35 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 87 K 8.89 4.31 0.00 2.05 1.76 0.00 1.41 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.39 1.45 7.81 88 A 7.65 3.67 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 7.94 4.45 0.00 2.73 2.90 0.00 0.00 6.93 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 90 D 9.67 4.61 0.00 3.07 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 91 I 7.24 2.98 1.51 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.59 -0.24 0.00 0.00 92 E 7.81 3.67 0.00 1.92 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 2.44 2.33 0.00 93 K 8.06 3.77 0.00 1.79 2.07 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.57 7.81 94 A 7.65 4.16 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 95 V 7.60 3.52 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 0.97 0.00 0.00 0.65 0.00 0.00 96 Q 8.14 4.20 0.00 2.13 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 97 S 8.19 4.60 0.00 4.00 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 98 L 7.21 4.62 0.00 1.83 1.65 0.99 1.12 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 99 D 8.35 4.65 0.00 2.83 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 0.00 100 K 8.80 3.89 0.00 1.79 1.93 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.50 7.81 101 N 8.24 4.57 0.00 2.93 2.88 0.00 0.00 7.03 7.66 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 0.00 102 G 8.51 3.58 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 0.00 0.00 0.00 103 V 7.84 3.64 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 1.03 0.00 0.00 0.94 0.00 0.00 104 D 8.12 4.29 0.00 2.97 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 0.00 105 L 7.79 3.90 0.00 1.79 1.72 0.64 0.57 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 0.00 106 L 8.24 4.05 0.00 1.98 1.97 0.98 1.20 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 0.00 107 M 8.63 4.15 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.74 0.00 108 K 7.93 4.00 0.00 1.82 1.60 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.35 1.58 7.81 109 Y 7.79 4.17 0.00 3.22 2.85 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 0.00 110 I 8.23 3.46 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.88 0.26 0.00 0.00 111 Y 7.55 3.64 0.00 3.05 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 0.00 112 K 8.04 4.23 0.00 2.08 1.91 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.46 1.72 7.81 113 G 8.21 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 0.00 114 F 7.67 4.59 0.00 3.15 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 0.00 115 E 7.86 4.71 0.00 2.21 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 2.38 0.00 116 S 8.06 4.73 0.00 3.82 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 0.00 117 P 0.00 4.55 0.00 2.04 1.97 0.00 3.73 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 2.02 2.08 0.00 118 S 8.34 4.51 0.00 3.91 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 *121 S 7.84 4.53 0.00 4.07 4.34 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.98 4.26 0.00 3.92 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 0.00 123 A 7.95 4.26 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 0.00 124 V 7.68 3.97 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 0.95 0.00 0.00 1.29 0.00 0.00 125 L 8.49 4.15 0.00 2.03 1.86 0.92 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 126 L 7.89 4.50 0.00 2.10 1.78 0.87 0.68 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 0.00 127 Q 7.53 4.05 0.00 2.34 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 128 W 8.45 3.83 0.00 3.36 3.30 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 0.00 129 H 8.90 4.04 0.00 3.32 3.56 0.00 5.62 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 0.00 130 E 8.03 4.01 0.00 2.02 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 2.32 2.40 0.00 131 K 8.23 4.01 0.00 1.77 1.63 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.95 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 1.34 7.81 132 A 8.10 4.01 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 0.00 133 L 8.40 3.60 0.00 1.66 1.66 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.83 4.03 1.37 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 0.00 0.00 135 A 7.74 4.26 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 0.00 136 G 8.69 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 0.00 137 G 7.54 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 0.00 0.00 0.00 138 V 8.17 3.78 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 0.82 0.00 0.00 0.96 0.00 0.00 139 G 8.03 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 0.00 140 S 7.95 4.24 0.00 4.05 4.18 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 0.00 141 I 7.54 3.78 2.08 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 1.69 0.88 0.84 0.00 0.00 142 V 7.60 3.60 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 1.00 0.00 0.00 0.92 0.00 0.00 143 R 7.69 4.11 0.00 1.93 1.94 0.00 3.19 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.47 0.00 144 V 8.69 3.66 1.82 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 0.75 0.00 0.00 0.90 0.00 0.00 145 L 7.74 4.01 0.00 1.75 1.65 0.87 0.70 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 0.00 146 T 7.72 4.24 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 0.00 147 A 7.37 4.18 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 0.00 148 R 8.68 4.14 0.00 1.83 2.02 0.00 3.39 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 149 K 7.82 4.30 0.00 1.70 1.97 0.00 1.57 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.46 7.81 150 T 7.97 4.62 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 1.18 0.00 0.00 151 V 8.04 3.73 1.72 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 0.13 0.00 0.00 0.64 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.