NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3550 8.1749 110.9438 60.3899 70.1286 173.5078 4 P 4.4486 0.0000 0.0000 61.3475 33.7944 173.3687 5 S 4.4122 10.4881 119.8439 59.2583 62.4798 175.5632 *7 E 4.2784 9.3609 118.6529 56.4047 31.6358 177.1403 8 D 4.4701 7.7858 117.3446 57.9876 40.8126 179.1769 9 Y 3.8512 8.0943 116.1994 61.0871 37.9989 177.9340 10 I 3.7570 7.9790 120.2673 64.7247 37.0252 177.6359 11 E 4.0066 8.6167 118.5474 59.5949 29.5036 178.4157 12 Q 4.1427 7.8502 118.2558 59.0617 29.4027 177.8892 13 I 3.9671 8.4967 121.2418 64.5407 37.1643 177.7084 14 Y 3.8653 8.4637 117.4728 59.3306 38.7554 177.4705 *16 L 4.1938 7.7799 119.5018 54.9585 43.8987 179.2237 17 I 3.7518 7.6816 119.0818 64.1306 37.4161 178.3204 18 E 3.7211 8.2159 119.9198 59.1108 29.1869 177.7459 19 E 4.4829 7.8777 112.4901 56.0346 30.1380 176.2228 20 K 4.2858 8.0089 116.6378 55.8359 37.1328 177.5836 21 G 3.9764 8.6285 107.7998 44.5812 0.0000 172.6846 22 Y 5.0663 6.7542 115.5386 55.0086 41.6050 175.4820 23 A 4.7629 8.6242 120.5832 50.7198 22.2177 175.0853 24 R 4.8249 8.7487 121.0943 54.8402 32.5991 177.9325 25 V 3.6352 8.7461 122.0825 66.4762 31.2720 178.6370 26 S 4.1471 8.0648 113.1531 61.6906 62.9911 175.9865 27 D 4.4206 8.0953 122.2376 57.0457 40.6006 178.8657 28 I 3.7162 8.1527 120.3270 64.3492 37.1125 178.3722 29 A 4.0347 8.5813 121.9692 55.1254 17.6891 179.5307 30 E 3.8781 8.6293 117.2815 59.4525 29.3466 179.4727 31 A 3.9933 7.6227 119.0438 55.0967 18.6688 179.0639 32 L 4.0834 7.8290 113.5860 53.9238 42.8702 176.4857 33 A 3.7039 7.4760 120.3241 53.6563 16.2126 175.9487 34 V 4.6039 7.8408 113.1236 59.4557 36.1512 175.8931 35 H 4.5213 8.5921 118.1475 54.9667 29.1396 175.1865 36 P 4.2986 0.0000 0.0000 66.0321 30.6605 178.7471 37 S 4.1344 8.1279 113.7268 61.5877 62.6448 176.5924 38 S 4.1143 8.1110 118.0660 61.2297 62.6638 176.3012 39 V 3.9928 7.9154 119.4751 66.3949 31.5586 177.7714 40 T 4.0659 8.0621 115.3953 66.4637 68.3487 176.9694 41 K 3.6070 8.0240 118.0675 57.7788 32.1563 178.0839 *43 V 4.0112 7.7489 119.2129 62.6591 33.5931 177.6888 44 Q 3.9616 8.0825 118.9029 58.7320 28.4568 178.2523 45 K 3.9019 7.7484 120.1545 59.6687 32.1475 178.8386 46 L 3.9208 7.7724 118.5740 57.5042 41.5239 178.6266 47 D 4.7347 8.1358 119.4522 55.8815 41.3526 178.3748 48 K 3.9830 8.6125 120.6652 59.5738 32.0749 178.1690 49 D 4.6047 8.2080 114.9738 53.6848 41.0881 176.0565 50 E 3.8564 7.8047 117.4720 57.7764 27.7798 175.1942 51 Y 4.2848 8.6497 117.3923 59.4521 39.0954 175.7647 52 L 4.8470 7.5522 117.9008 55.4452 43.1895 174.2449 53 I 5.5246 8.1612 109.6834 62.2651 43.2190 175.1890 *59 G 3.9185 7.5556 110.9520 44.4721 0.0000 171.0660 60 L 4.5841 8.2996 122.1217 54.3468 42.5573 176.9329 61 V 4.5106 8.7949 124.0322 60.9391 34.3935 174.5491 62 L 4.9299 8.6333 127.6071 54.6359 42.9153 177.0263 63 T 4.4019 9.0266 114.0890 60.2127 70.8785 175.6752 64 S 4.1006 8.7604 115.9251 61.8557 62.3730 176.0933 65 K 3.8204 7.7524 123.0583 59.2610 31.8785 178.8097 66 G 3.8318 8.0219 105.1262 47.6975 0.0000 175.1523 67 K 4.1761 8.7245 122.4120 59.1477 31.9507 178.7396 68 K 3.8810 8.6387 120.0705 59.6645 32.1588 178.8582 69 I 3.7860 8.0000 120.2243 64.1585 36.9685 178.5482 70 G 3.4039 8.5546 106.8746 47.7958 0.0000 175.5511 71 K 3.2233 7.2579 122.4252 58.7404 32.0390 178.7249 72 R 4.0352 7.4807 118.7980 59.0736 29.9786 178.4310 73 L 4.2615 8.0503 119.0766 57.8035 41.6490 179.6334 74 V 3.6884 8.0527 118.4746 65.9771 31.4564 177.4051 75 Y 4.1134 8.0721 119.1592 60.8418 38.6555 178.0652 76 R 3.7793 8.3070 119.5996 59.5694 30.2452 177.9621 77 H 4.0716 8.1737 117.9304 59.4777 29.9749 177.1787 78 E 3.9628 8.7084 120.7227 59.0800 29.1398 179.2987 79 L 3.7813 8.0452 120.8056 58.1746 42.0996 178.9465 80 L 4.0653 7.8899 118.9627 57.8262 41.5146 179.4592 81 E 3.8643 7.9647 117.9874 59.5770 29.4270 178.9354 82 Q 4.0504 8.1957 119.5423 59.3613 29.0657 178.6244 83 F 4.2969 8.5138 121.8268 61.2914 39.3305 177.1597 84 L 3.3976 7.9412 118.8784 57.4831 41.2908 179.4369 85 R 3.7906 8.3120 118.9463 59.4272 29.7972 178.3280 86 I 3.6132 7.6298 118.8985 64.3194 37.1758 177.5145 87 I 3.9099 6.9021 110.2999 59.8358 38.8924 175.7322 88 G 3.6181 7.7429 108.4165 46.5616 0.0000 173.6731 89 V 4.1906 7.3407 117.9629 60.4393 34.0937 174.6572 90 D 4.2420 8.6285 124.5829 54.9096 41.3343 176.6474 91 E 3.8627 9.2071 126.9526 60.0084 29.2495 178.9472 92 E 4.0121 8.5372 116.9980 58.8684 29.7795 178.7523 93 K 4.2785 8.2785 118.1702 58.1365 32.4195 178.3354 94 I 3.5391 7.1645 119.9886 65.1272 36.9347 177.0526 95 Y 4.1243 8.0117 118.8964 60.9980 38.7418 178.0582 96 N 4.3760 8.3574 116.5840 56.6663 38.7692 176.8353 97 D 4.2974 8.0869 119.8916 57.3221 40.9028 179.2053 98 V 3.4668 7.9200 118.8651 66.1363 31.3641 177.9448 99 E 3.9413 8.1796 117.6371 59.1601 29.2083 179.2399 100 G 3.6499 7.7854 105.1178 46.3735 0.0000 174.9583 101 I 4.1806 7.5733 114.1435 61.3292 38.4926 177.4104 102 E 3.8272 8.1990 119.8114 60.2352 29.1176 178.8414 103 H 4.4705 7.9606 115.2845 58.3507 28.9468 175.5648 104 H 4.7006 7.8471 116.4484 56.0156 28.7303 174.9062 105 L 4.6304 7.4903 119.0227 51.9706 44.6173 177.5291 106 S 4.1789 8.3670 118.4803 58.2329 64.9165 175.3355 107 W 4.1395 8.4845 121.5591 59.0086 28.9001 178.5098 108 N 4.3702 8.1512 117.3627 56.8546 38.5159 176.8708 109 S 4.1104 8.0419 116.5978 61.6369 62.8914 176.7929 110 I 3.6345 7.7788 122.5433 64.4357 36.8072 178.2215 111 D 4.5237 8.4523 119.8661 57.4462 40.5395 178.9860 112 R 4.2045 7.9395 118.0395 58.9469 30.1676 178.9810 113 I 3.2791 7.9724 120.0724 63.8988 36.9375 178.6031 114 G 3.6383 8.0453 106.6693 48.1023 0.0000 175.4417 115 D 4.4637 8.0729 122.2661 56.8236 40.9321 178.8640 116 L 4.0157 8.7176 121.5739 57.9993 41.8626 178.9827 117 V 4.0103 8.1840 117.5109 65.1960 31.7718 177.1910 118 Q 4.2560 8.1728 119.4406 58.4699 28.5525 176.6204 119 Y 4.0470 8.3352 121.4900 60.9026 38.7649 178.2191 120 F 4.0114 7.7758 115.0053 59.2054 39.5287 176.5084 121 E 4.2947 8.4168 121.3810 58.6855 29.6919 177.6199 122 E 4.4207 7.5717 114.6212 55.5792 29.5568 176.3367 123 D 4.8359 7.5201 120.0804 53.4824 43.9376 176.4893 124 D 4.1410 8.1089 126.9896 56.5342 40.0237 177.8758 125 A 4.1772 8.1161 120.5498 54.0073 18.3161 178.8369 126 R 4.3938 8.6200 117.1796 57.6503 30.4728 178.9444 127 K 4.1912 7.9569 118.2574 59.3607 32.2499 179.0006 128 K 4.2387 8.0811 117.7089 58.6293 32.5690 178.6236 129 D 4.4171 7.2906 116.4359 57.3810 41.4397 177.4365 130 L 4.1758 7.9305 120.9177 57.9978 41.1917 178.4901 131 K 3.9625 7.7525 118.4968 59.8759 31.7454 178.5063 132 S 4.3929 7.6164 112.4796 60.5936 62.9315 175.9505 133 I 4.0805 7.7956 122.6030 63.2588 37.2276 175.7351 134 Q 4.1513 7.3910 118.5289 56.3600 28.4005 175.8728 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 3 T 8.17 4.36 4.31 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 1.23 0.00 0.00 4 P 0.00 4.45 0.00 2.06 1.86 0.00 3.75 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 1.86 2.07 0.00 5 S 10.49 4.41 0.00 3.97 3.48 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 *7 E 9.36 4.28 0.00 2.07 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 0.00 2.36 2.35 0.00 8 D 7.79 4.47 0.00 3.00 2.72 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 9 Y 8.09 3.85 0.00 3.05 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.98 3.76 2.06 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 1.50 0.86 1.03 0.00 0.00 11 E 8.62 4.01 0.00 2.09 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 0.00 2.39 2.38 0.00 12 Q 7.85 4.14 0.00 2.19 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 13 I 8.50 3.97 2.15 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 1.80 1.00 1.01 0.00 0.00 14 Y 8.46 3.87 0.00 3.20 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 *16 L 7.78 4.19 0.00 1.99 1.84 0.96 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.68 3.75 1.85 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 1.31 0.78 0.91 0.00 0.00 18 E 8.22 3.72 0.00 1.90 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 1.83 2.24 0.00 19 E 7.88 4.48 0.00 2.01 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 0.00 2.12 2.21 0.00 20 K 8.01 4.29 0.00 1.40 0.76 0.00 1.22 0.00 0.00 1.30 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.09 1.16 7.81 21 G 8.63 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 0.00 0.00 0.00 22 Y 6.75 5.07 0.00 2.81 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 23 A 8.62 4.76 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 24 R 8.75 4.82 0.00 2.05 1.85 0.00 2.65 0.00 0.00 2.88 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.47 0.00 25 V 8.75 3.64 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 0.98 0.00 0.00 0.97 0.00 0.00 26 S 8.06 4.15 0.00 4.11 4.13 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 27 D 8.10 4.42 0.00 3.14 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 28 I 8.15 3.72 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.18 0.97 0.00 0.00 29 A 8.58 4.03 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 30 E 8.63 3.88 0.00 2.23 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 2.48 0.00 31 A 7.62 3.99 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 32 L 7.83 4.08 0.00 1.54 1.54 0.26 0.60 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 33 A 7.48 3.70 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 34 V 7.84 4.60 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 0.78 0.00 0.00 1.00 0.00 0.00 35 H 8.59 4.52 0.00 3.21 3.25 0.00 5.66 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 36 P 0.00 4.30 0.00 2.28 2.36 0.00 3.71 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 2.09 2.05 0.00 37 S 8.13 4.13 0.00 4.10 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 0.00 38 S 8.11 4.11 0.00 4.10 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 39 V 7.92 3.99 2.36 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 1.02 0.00 0.00 1.17 0.00 0.00 40 T 8.06 4.07 4.50 0.00 0.00 0.00 0.00 0.00 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 41 K 8.02 3.61 0.00 1.78 1.88 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.42 7.81 *43 V 7.75 4.01 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 0.96 0.00 0.00 1.03 0.00 0.00 44 Q 8.08 3.96 0.00 2.35 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 45 K 7.75 3.90 0.00 1.76 1.70 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.46 7.81 46 L 7.77 3.92 0.00 1.85 1.71 0.87 0.52 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 47 D 8.14 4.73 0.00 2.83 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 8.61 3.98 0.00 1.91 1.92 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.49 7.81 49 D 8.21 4.60 0.00 3.06 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 50 E 7.80 3.86 0.00 2.08 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 0.00 2.26 2.27 0.00 51 Y 8.65 4.28 0.00 3.17 3.06 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 0.00 0.00 0.00 52 L 7.55 4.85 0.00 2.03 1.83 0.97 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 53 I 8.16 5.52 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 0.42 0.94 0.00 0.00 *59 G 7.56 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 60 L 8.30 4.58 0.00 1.72 1.69 0.99 0.68 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 61 V 8.79 4.51 2.12 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 1.10 0.00 0.00 0.97 0.00 0.00 62 L 8.63 4.93 0.00 1.68 1.79 1.24 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 63 T 9.03 4.40 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 1.28 0.00 0.00 64 S 8.76 4.10 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 65 K 7.75 3.82 0.00 1.67 1.76 0.00 1.32 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.79 1.18 7.81 66 G 8.02 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.72 4.18 0.00 2.08 2.04 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.66 1.65 7.81 68 K 8.64 3.88 0.00 1.94 1.93 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.41 7.81 69 I 8.00 3.79 1.99 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 1.84 0.92 1.01 0.00 0.00 70 G 8.55 3.40 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 0.00 71 K 7.26 3.22 0.00 1.79 1.88 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.55 7.81 72 R 7.48 4.04 0.00 1.88 1.93 0.00 2.57 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.39 0.00 73 L 8.05 4.26 0.00 1.93 1.97 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.05 3.69 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 1.05 0.00 0.00 1.14 0.00 0.00 75 Y 8.07 4.11 0.00 3.28 3.29 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 76 R 8.31 3.78 0.00 2.15 2.39 0.00 2.94 0.00 0.00 2.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.50 0.00 77 H 8.17 4.07 0.00 3.42 3.52 0.00 5.84 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 78 E 8.71 3.96 0.00 2.00 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 0.00 2.39 2.50 0.00 79 L 8.05 3.78 0.00 1.11 1.49 0.87 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.89 4.07 0.00 1.65 1.71 0.82 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 81 E 7.96 3.86 0.00 2.16 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 2.25 2.25 0.00 82 Q 8.20 4.05 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 83 F 8.51 4.30 0.00 3.11 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 84 L 7.94 3.40 0.00 1.73 1.53 0.89 0.82 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 85 R 8.31 3.79 0.00 1.77 2.10 0.00 3.09 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 86 I 7.63 3.61 1.92 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 1.94 0.99 0.59 0.00 0.00 87 I 6.90 3.91 1.63 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.25 0.58 0.00 0.00 88 G 7.74 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 89 V 7.34 4.19 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 0.71 0.00 0.00 0.77 0.00 0.00 90 D 8.63 4.24 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 91 E 9.21 3.86 0.00 2.09 1.95 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 2.38 2.49 0.00 92 E 8.54 4.01 0.00 1.97 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 2.33 2.62 0.00 93 K 8.28 4.28 0.00 1.75 1.82 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.45 7.81 94 I 7.16 3.54 1.88 0.00 0.00 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 1.34 0.88 0.89 0.00 0.00 95 Y 8.01 4.12 0.00 3.11 2.98 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 96 N 8.36 4.38 0.00 2.93 2.87 0.00 0.00 7.09 8.08 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 97 D 8.09 4.30 0.00 2.85 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 98 V 7.92 3.47 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 0.88 0.00 0.00 99 E 8.18 3.94 0.00 1.66 1.74 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 1.47 1.64 0.00 100 G 7.79 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 I 7.57 4.18 1.81 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 1.79 1.10 0.86 0.00 0.00 102 E 8.20 3.83 0.00 2.01 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 2.40 2.16 0.00 103 H 7.96 4.47 0.00 3.22 3.40 0.00 5.71 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 7.85 4.70 0.00 2.99 3.30 0.00 5.79 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.49 4.63 0.00 1.38 1.34 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.37 4.18 0.00 4.04 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 0.00 107 W 8.48 4.14 0.00 3.46 3.34 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 0.00 108 N 8.15 4.37 0.00 2.88 2.83 0.00 0.00 7.24 7.17 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 0.00 109 S 8.04 4.11 0.00 3.96 3.79 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 0.00 110 I 7.78 3.63 2.10 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.57 1.06 0.00 0.00 111 D 8.45 4.52 0.00 2.99 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 0.00 112 R 7.94 4.20 0.00 1.91 1.92 0.00 3.28 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 113 I 7.97 3.28 1.82 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.61 0.28 0.00 0.00 114 G 8.05 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 0.00 115 D 8.07 4.46 0.00 2.85 2.76 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 0.00 116 L 8.72 4.02 0.00 1.75 1.83 1.09 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.18 4.01 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 1.00 0.00 0.00 1.14 0.00 0.00 118 Q 8.17 4.26 0.00 2.34 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.51 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 119 Y 8.34 4.05 0.00 3.03 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 0.00 120 F 7.78 4.01 0.00 3.30 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 0.00 121 E 8.42 4.29 0.00 2.25 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 2.66 2.43 0.00 122 E 7.57 4.42 0.00 1.93 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 2.51 2.08 0.00 123 D 7.52 4.84 0.00 2.65 2.39 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 0.00 124 D 8.11 4.14 0.00 2.81 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 0.00 125 A 8.12 4.18 1.44 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 0.00 126 R 8.62 4.39 0.00 1.79 1.75 0.00 2.21 0.00 0.00 2.28 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.63 0.00 127 K 7.96 4.19 0.00 2.02 1.90 0.00 1.71 0.00 0.00 1.89 0.00 0.00 3.03 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.60 1.92 7.81 128 K 8.08 4.24 0.00 2.03 2.07 0.00 1.32 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.80 1.46 7.81 129 D 7.29 4.42 0.00 2.99 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 0.00 130 L 7.93 4.18 0.00 2.01 1.72 0.98 0.57 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 0.00 131 K 7.75 3.96 0.00 2.03 2.01 0.00 1.53 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.54 7.81 132 S 7.62 4.39 0.00 4.12 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 0.00 133 I 7.80 4.08 2.00 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 1.84 0.81 0.93 0.00 0.00 134 Q 7.39 4.15 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.55 0.00 0.00 0.00 0.00 0.00 2.46 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.