NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3289 8.3149 122.1372 54.5374 33.6071 175.6696 4 I 3.6936 8.2312 122.6864 61.3245 37.4662 175.6333 5 F 5.0245 7.3188 113.0164 54.8847 41.3541 174.1041 6 N 4.5256 8.8907 119.9903 54.2859 37.9718 174.9305 7 E 4.1909 8.0556 119.6375 55.6306 29.3005 176.9246 8 E 4.0098 8.8600 125.2270 59.3935 29.3861 179.3605 9 L 3.6482 7.7518 118.3589 57.5588 41.5825 179.1658 10 A 3.5358 7.4089 120.6910 54.8733 18.2548 179.7904 11 V 3.5789 7.2685 116.1782 66.1412 31.5180 178.2088 12 I 3.0328 7.3635 119.5616 64.0696 36.7910 178.0448 13 E 3.6476 7.9789 120.0188 58.9701 29.3300 178.3314 14 A 3.9164 8.0688 121.0140 55.4117 18.1295 179.5054 15 A 3.8626 7.7608 118.1861 55.1904 18.4655 179.7829 16 A 3.2214 7.4225 119.0530 55.1001 18.2669 179.9825 17 I 3.2252 7.7005 118.2222 64.2011 37.0795 178.4380 18 A 3.9149 8.1658 121.9649 55.1442 18.0541 179.1638 19 Y 3.8733 7.6316 117.7623 60.9375 38.9464 178.0148 20 L 3.7877 7.8068 120.1031 57.9294 41.5917 179.7918 21 T 3.9015 7.9978 109.6000 64.6644 68.7867 176.5228 22 A 3.8477 7.8172 123.8506 54.7305 18.2786 179.4115 23 F 3.8202 8.4388 119.3340 61.4746 39.2615 176.9795 24 N 4.4462 8.2111 115.2008 56.3447 38.8201 176.0887 25 R 4.0705 8.0163 116.9392 55.1885 30.7587 175.8098 26 A 2.5800 7.4380 121.2054 52.6108 16.5957 178.6756 27 D 4.4891 7.5297 121.1163 53.8469 41.1767 175.5192 28 I 3.7142 7.7685 127.5382 63.6692 37.4919 176.0903 29 P 4.2622 0.0000 0.0000 65.5225 30.9471 178.5006 30 A 3.9736 7.9210 118.3670 55.0210 18.4761 179.3961 31 V 3.7357 8.0171 117.1294 66.4516 31.6459 178.2652 32 I 3.8884 8.4056 119.4441 64.4808 36.7514 178.2089 33 A 4.2206 8.0408 120.3534 54.5705 18.4393 178.5889 34 T 4.0353 7.8776 107.5619 63.4980 69.4279 174.3034 35 Y 4.9010 7.6329 120.1084 56.6391 39.2346 175.3500 36 T 4.2232 8.5817 113.1399 61.4338 69.7231 175.3079 37 D 4.3950 8.7698 121.7123 56.9113 40.9292 177.6692 38 D 5.1080 7.9410 116.8397 52.7923 40.1781 176.5207 39 G 3.9838 7.9663 107.3986 47.4873 0.0000 173.2252 40 V 4.9762 8.7394 122.7617 60.9070 34.3968 174.7850 41 L 5.4860 7.9473 129.8082 52.5431 45.1994 174.9650 *43 G 3.9939 8.3616 107.9906 44.4828 0.0000 170.7989 44 P 4.3387 0.0000 0.0000 63.3533 31.8878 178.2314 45 G 3.9453 9.1051 108.8455 45.7375 0.0000 173.6933 46 R 4.6444 7.2819 117.0462 53.3889 34.0157 173.4608 47 P 4.3464 0.0000 0.0000 62.0114 32.0281 176.0005 48 A 4.2223 8.4683 121.3354 52.9653 18.9428 176.8045 49 A 4.5839 8.8877 124.8493 50.5812 20.7547 176.1647 50 V 4.4854 9.2122 123.8275 63.9829 33.3056 176.1880 51 G 4.2622 9.3182 115.0413 45.0943 0.0000 173.9338 52 K 3.9289 8.5787 119.0473 59.1604 32.0014 179.4597 53 D 4.3691 8.0735 118.8167 57.6400 40.9690 178.6494 54 E 4.1778 8.0866 118.4134 59.1849 29.5486 179.1346 55 L 3.8735 8.1644 119.1502 57.6262 41.5895 179.2132 56 A 4.1248 8.2781 120.8027 55.4507 18.3637 179.2255 57 E 3.9215 7.9701 116.3768 59.7914 29.6003 180.1321 58 V 3.4929 7.6268 117.3276 66.2545 31.5756 177.7052 59 Y 4.0578 7.9445 116.4646 60.8581 37.6143 178.2890 60 L 4.1391 8.4350 120.3985 58.2334 41.7183 179.6779 61 S 4.0923 8.1137 112.6739 61.2280 62.2330 176.1519 62 V 3.6225 8.2807 121.2222 66.3347 31.1103 178.1649 63 F 4.7002 7.9646 115.5958 60.2302 38.7786 177.3163 64 E 4.1800 8.5268 118.2296 59.0857 29.4711 178.4927 65 T 4.3200 7.7034 115.3607 63.8657 69.4541 174.7986 66 V 4.7783 7.7649 118.7927 60.8865 35.1767 175.1175 67 G 4.1328 9.0600 114.4654 44.7808 0.0000 172.2643 68 F 5.3851 8.9958 124.5661 55.9357 41.3759 174.8969 69 D 4.8522 9.1622 122.0906 52.4115 44.1094 174.2567 *71 A 4.5162 8.5402 127.0289 51.9937 20.2603 174.5961 72 Y 5.3704 8.1771 118.3886 55.3635 41.0365 174.6157 73 E 4.7845 9.5362 121.1507 54.6534 33.4041 174.1852 74 I 4.4460 8.6247 127.4636 60.8784 37.5979 175.6007 75 K 4.4983 9.2909 127.5981 58.3049 33.3035 177.0101 76 E 4.7650 7.8090 115.2549 55.1179 32.8945 174.4843 77 V 4.5697 8.1541 120.7966 61.1546 34.3910 174.6982 78 V 4.0784 8.3314 127.6318 60.9454 34.6473 173.5820 79 Q 4.6694 8.5448 129.3760 55.0944 29.3448 174.9975 80 T 4.3898 8.8503 117.1873 63.0245 70.3944 174.1819 81 S 4.6014 7.8225 114.3848 56.9729 65.7449 174.3560 82 A 4.1087 8.9206 122.6551 55.1840 17.9955 178.1762 83 D 4.5476 8.2809 112.1503 53.5978 42.0001 175.3146 84 W 5.8785 8.3889 118.8657 55.2827 33.4176 174.1359 85 A 5.2362 9.4195 123.8503 51.0103 22.8445 174.8919 86 F 5.6312 9.1022 113.8529 55.2305 41.9504 174.0717 87 V 4.9623 9.1010 119.2476 61.2288 35.1121 173.9823 88 R 5.4281 9.1431 127.6697 54.7349 32.9735 174.5265 89 S 5.3855 9.4295 119.6097 57.0027 67.6231 172.2036 90 A 5.3505 9.2508 120.4155 50.7033 22.7114 175.3658 91 T 5.3952 9.0989 110.2580 60.0897 72.3108 172.7269 92 E 5.2344 9.3467 120.6248 54.0157 32.9975 176.9714 93 G 4.2870 7.9084 109.1502 46.9270 0.0000 172.2833 94 T 5.2015 8.2980 114.5365 59.7001 72.7158 172.7496 95 E 4.9113 9.2205 122.9994 54.6988 33.2222 174.3462 96 T 5.0007 8.7211 123.4054 61.4675 71.5660 172.9120 97 N 4.6811 8.8415 126.5382 53.5628 39.3436 175.9706 98 K 4.0016 8.8973 126.2121 59.3336 32.4297 178.8978 99 A 4.0895 8.4006 122.6413 55.2785 18.5511 178.6456 100 T 4.0708 8.6287 104.6966 62.0475 69.4131 176.3671 101 G 3.8794 8.3517 109.7529 45.1647 0.0000 173.5608 102 V 3.7289 7.3905 121.5094 62.8570 32.4203 174.8675 103 V 4.8189 8.3849 128.6992 62.1126 32.5855 175.0392 104 T 4.9146 9.1597 117.5801 58.9240 72.4998 171.4853 105 P 4.9323 0.0000 0.0000 63.3161 32.1495 175.3465 106 A 5.0732 9.3750 123.4577 50.3830 22.9576 174.7820 107 A 5.2422 8.5469 121.9658 50.6490 23.0704 174.7760 108 Y 5.2631 9.3470 117.9238 56.3463 43.1620 174.2441 109 Q 5.1439 9.1815 118.4509 54.6517 32.3575 174.0265 110 E 4.8271 9.2243 120.2381 54.4414 34.1120 174.1470 111 L 5.1203 8.3893 125.7997 53.3558 44.8909 174.7898 112 F 5.3624 9.6475 125.7250 56.0561 41.5214 174.7923 113 L 5.3553 9.3587 124.0794 53.4289 43.6125 175.4110 114 L 5.3407 9.2764 124.8083 52.9924 44.7983 175.7279 115 R 4.3060 9.0419 122.2020 53.9532 33.1580 174.1730 116 K 3.6143 7.4454 128.6740 55.5659 32.8069 177.0659 117 S 4.2643 8.7491 122.6071 56.9652 64.3081 174.8880 118 A 3.9063 8.3412 123.0296 55.1793 18.0063 178.4837 119 T 4.1329 7.6938 103.2178 61.8619 69.2831 175.5494 120 G 3.8437 7.8031 111.0645 45.0593 0.0000 173.9647 121 S 4.3898 7.6045 117.1709 57.8926 64.2215 173.4498 122 W 4.6546 8.7505 124.5017 56.3584 29.6942 175.7259 123 Q 4.8674 9.0107 123.6244 54.0615 32.6489 174.9570 124 T 4.5178 8.7461 119.1913 63.8569 69.0973 175.2573 125 A 4.4250 9.6540 129.2930 53.2775 20.5468 177.3131 126 R 5.2432 8.0419 113.1818 54.8110 34.5734 173.8829 127 Y 5.1373 9.2524 123.9295 56.0428 42.5447 173.1290 128 C 4.6957 8.2460 126.3204 57.5890 34.6727 172.3330 129 T 4.9111 8.1679 119.7208 60.1244 70.0977 172.8208 130 S 4.7827 8.9762 122.0890 56.3111 66.6754 172.7976 131 K 3.9317 8.5831 124.2089 55.8472 31.9145 176.4313 132 I 4.0499 8.1978 129.9227 64.2034 37.6538 176.8656 133 S 4.5161 7.3587 113.0770 56.7321 65.2448 173.0736 134 P 4.3854 0.0000 0.0000 62.9581 31.1683 176.3426 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 K 8.31 4.33 0.00 1.79 1.67 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 4 I 8.23 3.69 0.96 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 1.22 0.88 0.01 0.00 0.00 5 F 7.32 5.02 0.00 2.90 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 6 N 8.89 4.53 0.00 2.87 3.03 0.00 0.00 6.17 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 7 E 8.06 4.19 0.00 1.95 1.86 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 2.37 2.33 0.00 8 E 8.86 4.01 0.00 2.03 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 0.00 2.51 2.49 0.00 9 L 7.75 3.65 0.00 1.51 1.51 0.81 0.56 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 10 A 7.41 3.54 0.39 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 11 V 7.27 3.58 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 1.34 0.00 0.00 1.16 0.00 0.00 12 I 7.36 3.03 1.45 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.05 0.38 0.00 0.00 13 E 7.98 3.65 0.00 1.89 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 0.00 2.18 2.19 0.00 14 A 8.07 3.92 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 0.00 0.00 15 A 7.76 3.86 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 16 A 7.42 3.22 0.48 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 17 I 7.70 3.23 1.86 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 1.18 0.55 0.71 0.00 0.00 18 A 8.17 3.91 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 19 Y 7.63 3.87 0.00 2.99 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 20 L 7.81 3.79 0.00 1.44 1.56 0.79 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.00 3.90 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 1.31 0.00 0.00 22 A 7.82 3.85 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 23 F 8.44 3.82 0.00 2.39 2.89 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 24 N 8.21 4.45 0.00 3.01 2.91 0.00 0.00 7.33 7.16 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 25 R 8.02 4.07 0.00 1.83 1.84 0.00 3.32 0.00 0.00 3.20 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 26 A 7.44 2.58 0.60 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 0.00 0.00 27 D 7.53 4.49 0.00 2.56 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 7.77 3.71 1.91 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.41 1.05 0.00 0.00 29 P 0.00 4.26 0.00 2.14 2.10 0.00 3.80 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 2.10 2.16 0.00 30 A 7.92 3.97 1.40 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 31 V 8.02 3.74 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 0.49 0.00 0.00 0.79 0.00 0.00 32 I 8.41 3.89 2.05 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.22 0.98 0.00 0.00 33 A 8.04 4.22 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 34 T 7.88 4.04 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 1.28 0.00 0.00 35 Y 7.63 4.90 0.00 3.25 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 36 T 8.58 4.22 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 37 D 8.77 4.39 0.00 2.75 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 38 D 7.94 5.11 0.00 2.79 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 39 G 7.97 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 40 V 8.74 4.98 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 0.98 0.00 0.00 1.01 0.00 0.00 41 L 7.95 5.49 0.00 1.80 1.40 1.15 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 *43 G 8.36 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 44 P 0.00 4.34 0.00 2.27 2.01 0.00 3.75 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.15 0.00 45 G 9.11 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 46 R 7.28 4.64 0.00 1.80 1.74 0.00 3.12 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 47 P 0.00 4.35 0.00 2.02 1.97 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 48 A 8.47 4.22 1.21 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 49 A 8.89 4.58 1.15 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 0.00 0.00 50 V 9.21 4.49 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 0.80 0.00 0.00 0.92 0.00 0.00 51 G 9.32 4.26 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 0.00 52 K 8.58 3.93 0.00 1.83 1.90 0.00 1.72 0.00 0.00 1.87 0.00 0.00 3.31 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.57 1.57 7.81 53 D 8.07 4.37 0.00 2.69 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 54 E 8.09 4.18 0.00 2.21 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 2.38 0.00 55 L 8.16 3.87 0.00 1.79 1.72 0.31 0.56 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 56 A 8.28 4.12 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 57 E 7.97 3.92 0.00 2.20 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 0.00 2.35 2.43 0.00 58 V 7.63 3.49 1.86 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 0.74 0.00 0.00 0.87 0.00 0.00 59 Y 7.94 4.06 0.00 3.30 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 60 L 8.43 4.14 0.00 2.04 1.81 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 S 8.11 4.09 0.00 3.92 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 62 V 8.28 3.62 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 1.02 0.00 0.00 0.90 0.00 0.00 63 F 7.96 4.70 0.00 3.13 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 64 E 8.53 4.18 0.00 2.20 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 2.40 2.53 0.00 65 T 7.70 4.32 4.36 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 1.23 0.00 0.00 66 V 7.76 4.78 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 -0.22 0.00 0.00 0.87 0.00 0.00 67 G 9.06 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 0.00 0.00 0.00 68 F 9.00 5.39 0.00 3.12 3.20 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 69 D 9.16 4.85 0.00 2.82 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 *71 A 8.54 4.52 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 72 Y 8.18 5.37 0.00 3.01 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 73 E 9.54 4.78 0.00 2.00 1.84 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 2.24 2.29 0.00 74 I 8.62 4.45 1.92 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 1.52 1.11 0.89 0.00 0.00 75 K 9.29 4.50 0.00 1.80 1.90 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.58 7.81 76 E 7.81 4.77 0.00 1.98 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 2.38 2.45 0.00 77 V 8.15 4.57 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 0.58 0.00 0.00 0.79 0.00 0.00 78 V 8.33 4.08 0.67 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 0.65 0.00 0.00 0.55 0.00 0.00 79 Q 8.54 4.67 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 80 T 8.85 4.39 4.38 0.00 0.00 0.00 0.00 0.00 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 81 S 7.82 4.60 0.00 4.12 4.12 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 82 A 8.92 4.11 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 83 D 8.28 4.55 0.00 2.65 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 0.00 0.00 0.00 84 W 8.39 5.88 0.00 3.43 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 85 A 9.42 5.24 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 9.10 5.63 0.00 3.25 3.17 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 87 V 9.10 4.96 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 0.90 0.00 0.00 0.72 0.00 0.00 88 R 9.14 5.43 0.00 2.09 1.85 0.00 3.12 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.74 0.00 89 S 9.43 5.39 0.00 4.19 4.12 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 90 A 9.25 5.35 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 91 T 9.10 5.40 4.41 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 1.44 0.00 0.00 92 E 9.35 5.23 0.00 2.01 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 2.26 2.32 0.00 93 G 7.91 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 0.00 0.00 0.00 0.00 94 T 8.30 5.20 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 1.26 0.00 0.00 95 E 9.22 4.91 0.00 2.07 1.77 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 1.92 1.57 0.00 96 T 8.72 5.00 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 1.23 0.00 0.00 97 N 8.84 4.68 0.00 2.77 2.68 0.00 0.00 6.78 6.53 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 98 K 8.90 4.00 0.00 1.70 1.86 0.00 1.99 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.40 7.81 99 A 8.40 4.09 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 0.00 100 T 8.63 4.07 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 0.00 101 G 8.35 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 7.39 3.73 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 0.89 0.00 0.00 0.93 0.00 0.00 103 V 8.38 4.82 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 0.88 0.00 0.00 0.99 0.00 0.00 104 T 9.16 4.91 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 1.21 0.00 0.00 105 P 0.00 4.93 0.00 2.12 2.12 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 106 A 9.37 5.07 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 0.00 107 A 8.55 5.24 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 0.00 108 Y 9.35 5.26 0.00 2.99 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 0.00 109 Q 9.18 5.14 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.29 0.00 110 E 9.22 4.83 0.00 2.02 1.54 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 0.00 2.27 2.18 0.00 111 L 8.39 5.12 0.00 1.64 1.34 0.98 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 112 F 9.65 5.36 0.00 3.06 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 0.00 113 L 9.36 5.36 0.00 1.97 1.94 1.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 114 L 9.28 5.34 0.00 1.81 1.92 0.91 0.55 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 0.00 115 R 9.04 4.31 0.00 0.67 1.23 0.00 2.81 0.00 0.00 2.85 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 116 K 7.45 3.61 0.00 0.79 0.93 0.00 1.60 0.00 0.00 1.41 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.79 0.21 7.81 117 S 8.75 4.26 0.00 3.88 3.84 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 0.00 118 A 8.34 3.91 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 0.00 119 T 7.69 4.13 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 0.00 120 G 7.80 3.84 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 0.00 121 S 7.60 4.39 0.00 3.67 3.76 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 0.00 122 W 8.75 4.65 0.00 3.14 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 0.00 123 Q 9.01 4.87 0.00 1.90 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.01 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 124 T 8.75 4.52 3.63 0.00 0.00 0.00 0.00 0.00 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 0.00 125 A 9.65 4.43 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 5.24 0.00 1.82 1.86 0.00 3.31 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.64 0.00 127 Y 9.25 5.14 0.00 2.82 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 0.00 128 C 8.25 4.70 0.00 2.82 2.46 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 0.00 129 T 8.17 4.91 3.81 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 1.11 0.00 0.00 130 S 8.98 4.78 0.00 3.85 3.84 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 0.00 131 K 8.58 3.93 0.00 1.63 1.61 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.75 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.98 0.25 7.81 132 I 8.20 4.05 1.81 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 1.26 0.61 0.88 0.00 0.00 133 S 7.36 4.52 0.00 3.92 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 0.00 134 P 0.00 4.39 0.00 2.05 1.98 0.00 3.68 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 * Residues marked with a * may have inaccurate shift predictions.