NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3042 8.2493 123.5650 51.8942 20.5085 176.8441 3 T 4.6486 7.3970 104.8969 59.8651 69.9092 172.7423 4 F 5.5252 7.6626 121.7773 56.1159 43.2699 177.8257 5 V 3.6398 8.3591 119.7996 66.1912 31.4212 177.9956 6 K 3.8200 8.4542 119.7223 59.9177 31.4850 178.2655 7 D 4.4181 8.2483 118.3536 57.4634 40.7892 178.6759 8 L 4.0932 7.7562 119.4196 57.7916 41.5937 179.5911 9 L 4.0668 8.0110 118.9925 57.7354 41.2959 179.1939 10 D 4.3873 7.8968 117.9959 57.0940 40.7182 178.7268 11 R 4.1220 7.4920 116.7524 58.5949 30.4173 178.0037 12 K 4.2715 8.4482 117.5188 57.6030 33.0712 175.6931 13 G 4.2057 6.7397 102.8389 43.5523 0.0000 173.5480 14 R 4.3090 8.2000 120.0423 56.3558 30.8354 176.5838 15 D 4.5841 7.7791 116.7348 54.6659 41.5387 175.5735 16 V 4.3116 7.9036 120.5982 60.8377 34.0906 175.0669 17 V 3.9597 8.3228 127.4201 62.8623 32.2630 174.6711 18 T 4.9123 8.5071 117.4104 59.9939 71.9539 173.4256 19 V 4.5283 8.3056 115.2457 59.2688 35.7638 175.9319 20 G 4.1739 8.5456 112.1192 44.4356 0.0000 171.9768 21 P 4.3836 0.0000 0.0000 64.4545 31.7410 176.9010 22 D 4.5483 7.8679 116.9146 54.5660 41.7284 176.8721 23 V 3.5987 7.6281 120.0633 63.0745 32.1563 175.3944 24 S 4.7496 8.4959 121.1478 57.8402 65.2807 175.2327 25 I 3.4987 8.3510 124.8688 64.7203 36.7624 178.9055 26 G 3.6960 8.1505 106.2650 47.9475 0.0000 175.3765 27 E 4.0589 7.8790 120.0030 58.4654 29.6816 178.5540 28 A 3.9257 8.3032 121.2878 55.5202 18.1656 179.4186 29 A 4.1895 8.3683 119.0527 55.5240 18.5192 180.1243 30 G 3.5935 7.8670 104.2114 48.1005 0.0000 176.2498 31 T 3.9594 7.9374 118.0327 66.5441 68.5761 176.6278 32 L 4.0324 8.0252 120.9325 58.2812 41.6118 179.2873 33 H 4.2897 7.9955 117.4012 58.9906 29.7541 176.8893 34 A 3.8442 7.5648 121.9676 55.5474 18.1549 177.9861 35 H 4.5193 8.0126 109.0464 55.2487 29.4085 175.2113 36 K 3.8479 7.8895 118.6122 57.6529 29.8193 174.0005 37 I 4.7043 7.9117 109.5649 59.3034 41.2229 175.5620 38 G 3.9513 8.4697 107.0119 45.5389 0.0000 172.6366 39 A 5.1502 7.3839 119.8597 51.0133 22.6851 176.1610 40 V 4.3958 8.3633 117.7902 60.6280 35.2890 173.5195 41 V 4.3162 8.2902 125.1234 61.9119 33.2838 174.7309 42 V 4.5590 8.9148 128.9194 61.9874 32.4724 174.6322 43 T 5.7089 8.7891 118.2040 58.9068 72.5891 173.6872 44 D 4.7665 8.3881 122.1313 51.7800 41.2981 176.8982 45 A 4.0472 8.4846 121.2156 54.8983 18.2261 178.1571 46 D 4.5358 7.9844 113.6184 54.3328 41.6140 177.3232 47 G 4.0521 7.9966 106.1361 44.9943 0.0000 174.1382 48 V 3.8253 8.6429 120.7963 61.8345 32.2864 175.3054 49 V 3.9570 8.2623 126.1653 63.0827 31.5851 175.3680 50 L 4.4974 9.6102 127.8629 54.3959 44.2296 176.4834 51 G 4.0229 6.9218 103.7632 46.3694 0.0000 170.9349 52 I 5.0265 7.9622 119.0927 59.0018 41.7152 174.2511 53 F 5.3776 9.1190 130.8179 56.6905 42.5959 173.8853 54 T 5.0630 8.3602 116.0310 59.0400 71.7580 174.6473 55 E 3.8603 8.4771 119.1584 59.5584 28.9780 179.4183 56 R 3.8450 8.3223 120.1388 59.3961 30.2805 178.0174 57 D 4.3458 7.7703 118.1684 57.0249 40.7280 178.2500 58 L 3.9872 7.4227 120.4826 58.2068 42.1139 178.8486 59 V 3.5539 7.4268 118.0856 66.3585 31.4134 178.0393 60 K 3.9654 7.9728 118.2126 59.1429 31.8788 178.7183 61 A 3.9654 7.9742 121.0683 55.4468 18.4373 180.1551 62 V 3.5864 7.9841 110.6715 64.1568 31.3413 178.6868 63 A 4.0974 8.0206 120.2270 55.1076 18.3014 179.7240 64 G 3.7738 7.8732 102.8378 47.3351 0.0000 175.1559 65 Q 4.5990 8.2511 119.8367 54.7711 31.2536 176.5007 66 G 3.8217 8.2690 107.6740 46.0896 0.0000 175.6843 67 A 3.9700 8.7174 118.9182 55.4641 18.1350 179.3382 68 A 4.0492 7.7169 118.1134 54.5473 18.0133 179.7239 69 S 4.1500 8.2799 113.0876 61.0994 63.1875 176.5049 70 L 4.0627 7.7329 122.6963 57.3710 41.0349 179.0413 71 Q 4.1007 7.6302 117.6194 57.4140 29.2458 176.7747 72 Q 4.1656 7.1464 118.1012 55.4356 29.7559 175.5096 73 S 4.4492 8.3362 115.1496 57.6232 63.2396 175.5048 74 V 3.3607 8.1836 126.6938 64.7188 31.0819 178.7485 75 S 4.1270 7.5864 116.3055 61.4334 62.6601 175.7734 76 V 3.8310 7.6789 111.3584 62.4696 31.5473 176.4506 77 A 4.6845 7.7810 120.8570 52.1109 20.5972 176.7589 78 M 4.4501 7.6153 113.0779 55.0219 32.2832 176.4362 79 T 4.2177 8.3404 117.8507 63.0190 68.7390 176.1997 80 K 4.1853 8.5938 126.5779 58.6528 32.3526 177.4808 81 N 4.5357 7.8687 117.0001 52.1009 37.1258 172.9987 82 V 4.0092 7.8251 121.6102 61.0829 32.6178 175.9662 83 V 4.1736 7.8544 120.5578 61.1263 32.8033 175.2518 84 R 5.0435 8.3746 120.9321 54.9039 34.8604 172.9450 85 C 5.0367 8.7821 114.0883 56.9554 33.9673 172.3882 86 Q 5.1268 8.7579 116.5394 54.1197 32.4538 176.8543 87 H 4.1298 9.0757 116.8878 58.3639 28.7920 176.9256 88 N 4.3043 7.7412 113.6463 52.0365 37.7695 174.9366 89 S 4.2655 7.7686 115.8840 59.2207 63.6289 173.3663 90 T 5.2579 7.9791 112.6764 60.8473 71.1915 176.7300 91 T 3.7628 8.5094 121.0718 66.4672 68.6645 175.6861 92 D 4.3661 8.2582 119.6792 57.5973 41.1463 178.6334 93 Q 4.1308 7.9112 118.2427 58.9249 28.7100 178.3390 94 L 3.9672 8.1223 120.3928 58.6310 41.8488 179.4813 95 M 4.0294 7.8712 117.5590 58.7883 31.7978 178.8125 96 E 4.0194 8.2878 118.4086 58.9794 29.6374 179.1607 97 I 3.6220 7.6487 119.4017 64.8025 37.1551 178.1346 98 M 3.8112 8.1710 121.0321 57.9310 31.4907 179.1574 99 T 3.8932 7.5424 114.8149 66.5010 68.8193 176.4815 100 G 3.6180 8.0239 108.9879 48.4126 0.0000 175.1386 101 G 3.2227 7.8200 108.0051 45.6437 0.0000 173.4751 102 R 3.7020 7.1728 118.1629 56.6014 27.3703 174.2891 103 F 5.0339 6.5492 111.6788 55.9936 41.7182 174.8884 104 R 4.8754 8.8024 115.5611 55.9479 32.5061 174.7315 105 H 5.3761 8.4153 115.8325 54.2903 32.9880 173.2044 106 V 4.3460 9.0375 116.2779 58.7226 35.1129 173.4635 107 P 4.5431 0.0000 0.0000 62.8166 32.7430 175.6703 108 V 4.5332 8.5223 123.7451 62.1436 33.1243 174.5288 109 E 5.8122 8.2871 128.4953 53.2421 32.8175 175.9470 *112 G 3.8866 8.5282 107.7579 44.9372 0.0000 172.5617 113 R 4.6504 7.4592 118.1387 53.5310 32.9741 174.8622 114 L 4.5776 8.3278 122.2098 55.2378 42.5065 176.6005 115 A 4.6581 9.6329 127.3611 50.0288 20.4562 175.9246 116 G 4.0950 7.0917 106.9054 46.5264 0.0000 171.3728 117 I 4.9277 7.5290 118.5471 59.6023 41.1346 174.1560 118 I 4.7306 8.5776 129.2707 59.4865 40.0566 174.8038 119 S 5.1413 8.7422 120.3680 56.1285 65.8800 174.7659 120 I 3.7230 8.4294 121.2771 64.6907 37.4221 178.3743 121 G 3.6123 7.7702 104.8410 47.7259 0.0000 175.3033 122 D 4.3483 8.0637 121.2948 57.1754 41.0373 178.7495 123 V 3.5608 7.8325 118.0005 66.3070 31.2061 177.5195 124 V 3.5387 7.6201 116.2468 66.3866 31.6241 177.5213 125 K 3.9885 8.4207 118.8328 59.5229 31.7515 178.5898 126 A 4.0449 8.1112 120.6317 55.0106 18.4014 179.0777 127 R 4.1800 7.7829 113.4319 56.9926 30.2236 176.8649 128 I 4.0884 7.4543 118.3312 60.8761 37.6529 175.2732 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 A 8.25 4.30 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 3 T 7.40 4.65 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 4 F 7.66 5.53 0.00 3.09 3.04 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 5 V 8.36 3.64 2.37 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 1.01 0.00 0.00 0.99 0.00 0.00 6 K 8.45 3.82 0.00 2.08 1.95 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.49 1.57 7.81 7 D 8.25 4.42 0.00 3.03 2.71 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 8 L 7.76 4.09 0.00 1.85 1.73 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.01 4.07 0.00 1.69 1.70 0.84 1.14 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 10 D 7.90 4.39 0.00 2.87 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 11 R 7.49 4.12 0.00 1.98 1.98 0.00 3.15 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 1.65 1.85 0.00 12 K 8.45 4.27 0.00 1.77 1.99 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.17 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.40 1.44 7.81 13 G 6.74 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 14 R 8.20 4.31 0.00 1.76 1.95 0.00 3.30 0.00 0.00 3.21 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.91 0.00 15 D 7.78 4.58 0.00 2.71 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 7.90 4.31 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 0.79 0.00 0.00 0.91 0.00 0.00 17 V 8.32 3.96 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 0.79 0.00 0.00 0.75 0.00 0.00 18 T 8.51 4.91 4.29 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 1.20 0.00 0.00 19 V 8.31 4.53 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 0.71 0.00 0.00 0.90 0.00 0.00 20 G 8.55 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 0.00 0.00 0.00 0.00 21 P 0.00 4.38 0.00 2.16 2.16 0.00 3.73 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.96 0.00 22 D 7.87 4.55 0.00 2.64 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 23 V 7.63 3.60 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 0.95 0.00 0.00 0.90 0.00 0.00 24 S 8.50 4.75 0.00 4.19 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 25 I 8.35 3.50 1.99 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.56 1.00 0.00 0.00 26 G 8.15 3.70 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 0.00 0.00 0.00 27 E 7.88 4.06 0.00 2.09 1.98 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 2.30 2.30 0.00 28 A 8.30 3.93 1.17 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 0.00 0.00 0.00 29 A 8.37 4.19 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 30 G 7.87 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 31 T 7.94 3.96 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 1.30 0.00 0.00 32 L 8.03 4.03 0.00 1.91 1.96 0.97 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 33 H 8.00 4.29 0.00 3.17 3.31 0.00 5.61 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 34 A 7.56 3.84 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 35 H 8.01 4.52 0.00 3.22 3.35 0.00 5.81 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 K 7.89 3.85 0.00 1.89 1.87 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.36 1.49 7.81 37 I 7.91 4.70 1.88 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 1.28 0.69 0.99 0.00 0.00 38 G 8.47 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 A 7.38 5.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.36 4.40 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 0.71 0.00 0.00 0.97 0.00 0.00 41 V 8.29 4.32 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 0.94 0.00 0.00 0.91 0.00 0.00 42 V 8.91 4.56 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 0.89 0.00 0.00 0.93 0.00 0.00 43 T 8.79 5.71 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 1.23 0.00 0.00 44 D 8.39 4.77 0.00 2.91 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 45 A 8.48 4.05 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 46 D 7.98 4.54 0.00 2.81 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 47 G 8.00 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 0.00 0.00 0.00 48 V 8.64 3.83 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 0.91 0.00 0.00 0.92 0.00 0.00 49 V 8.26 3.96 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 0.84 0.00 0.00 0.92 0.00 0.00 50 L 9.61 4.50 0.00 1.71 1.66 0.94 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 51 G 6.92 4.02 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 0.00 0.00 0.00 52 I 7.96 5.03 1.81 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 1.04 1.44 0.81 0.00 0.00 53 F 9.12 5.38 0.00 3.14 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 54 T 8.36 5.06 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 1.13 0.00 0.00 55 E 8.48 3.86 0.00 2.21 2.24 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 2.44 2.29 0.00 56 R 8.32 3.84 0.00 1.86 1.89 0.00 3.14 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 57 D 7.77 4.35 0.00 2.08 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 58 L 7.42 3.99 0.00 1.81 1.80 1.06 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.43 3.55 2.25 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 0.93 0.00 0.00 0.92 0.00 0.00 60 K 7.97 3.97 0.00 1.87 1.79 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.47 7.81 61 A 7.97 3.97 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.98 3.59 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 0.83 0.00 0.00 0.94 0.00 0.00 63 A 8.02 4.10 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 64 G 7.87 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 65 Q 8.25 4.60 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.62 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 66 G 8.27 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 67 A 8.72 3.97 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 68 A 7.72 4.05 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 69 S 8.28 4.15 0.00 4.09 4.15 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 70 L 7.73 4.06 0.00 1.68 1.76 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 7.63 4.10 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 72 Q 7.15 4.17 0.00 2.30 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 7.01 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 73 S 8.34 4.45 0.00 3.81 3.68 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 74 V 8.18 3.36 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 0.61 0.00 0.00 0.04 0.00 0.00 75 S 7.59 4.13 0.00 3.80 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 76 V 7.68 3.83 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 0.64 0.00 0.00 0.98 0.00 0.00 77 A 7.78 4.68 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 78 M 7.62 4.45 0.00 2.32 2.27 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.69 0.00 79 T 8.34 4.22 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 1.22 0.00 0.00 80 K 8.59 4.19 0.00 1.75 1.86 0.00 1.79 0.00 0.00 2.36 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.42 7.81 81 N 7.87 4.54 0.00 2.71 2.79 0.00 0.00 6.75 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 82 V 7.83 4.01 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 0.69 0.00 0.00 1.00 0.00 0.00 83 V 7.85 4.17 2.16 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 0.84 0.00 0.00 1.19 0.00 0.00 84 R 8.37 5.04 0.00 1.63 1.90 0.00 3.31 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.73 0.00 85 C 8.78 5.04 0.00 2.98 3.05 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 86 Q 8.76 5.13 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.52 0.00 87 H 9.08 4.13 0.00 3.12 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 7.74 4.30 0.00 2.28 2.55 0.00 0.00 6.05 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 89 S 7.77 4.27 0.00 4.04 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 90 T 7.98 5.26 4.48 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 1.37 0.00 0.00 91 T 8.51 3.76 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 1.22 0.00 0.00 92 D 8.26 4.37 0.00 2.67 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 93 Q 7.91 4.13 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 94 L 8.12 3.97 0.00 2.01 1.77 0.96 1.03 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 95 M 7.87 4.03 0.00 2.03 2.29 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 2.91 2.60 0.00 96 E 8.29 4.02 0.00 2.12 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 2.31 2.32 0.00 97 I 7.65 3.62 2.02 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.88 1.04 0.00 0.00 98 M 8.17 3.81 0.00 1.94 2.17 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 2.69 2.69 0.00 99 T 7.54 3.89 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 1.16 0.00 0.00 100 G 8.02 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 0.00 101 G 7.82 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 0.00 0.00 0.00 102 R 7.17 3.70 0.00 1.86 1.96 0.00 3.13 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.48 0.00 103 F 6.55 5.03 0.00 3.08 3.16 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 0.00 104 R 8.80 4.88 0.00 1.72 1.78 0.00 3.05 0.00 0.00 3.33 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 105 H 8.42 5.38 0.00 2.92 3.14 0.00 5.84 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 9.04 4.35 2.16 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 1.21 0.00 0.00 1.00 0.00 0.00 107 P 0.00 4.54 0.00 2.04 1.95 0.00 3.71 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 108 V 8.52 4.53 2.24 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 0.89 0.00 0.00 0.91 0.00 0.00 109 E 8.29 5.81 0.00 1.95 1.81 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 2.20 2.06 0.00 *112 G 8.53 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 0.00 0.00 0.00 113 R 7.46 4.65 0.00 1.85 1.81 0.00 3.12 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 114 L 8.33 4.58 0.00 1.58 1.57 0.96 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 115 A 9.63 4.66 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 0.00 116 G 7.09 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 0.00 0.00 0.00 117 I 7.53 4.93 1.87 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 1.38 0.80 0.92 0.00 0.00 118 I 8.58 4.73 1.90 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 1.30 0.98 0.94 0.00 0.00 119 S 8.74 5.14 0.00 3.93 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 0.00 120 I 8.43 3.72 1.85 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 1.44 1.30 0.88 0.00 0.00 121 G 7.77 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.06 4.35 0.00 2.87 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 0.00 123 V 7.83 3.56 2.25 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 1.04 0.00 0.00 0.95 0.00 0.00 124 V 7.62 3.54 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 0.85 0.00 0.00 0.95 0.00 0.00 125 K 8.42 3.99 0.00 1.85 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.47 7.81 126 A 8.11 4.04 1.39 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 0.00 0.00 127 R 7.78 4.18 0.00 1.83 1.98 0.00 3.27 0.00 0.00 3.27 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.77 0.00 128 I 7.45 4.09 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 1.29 0.66 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.