NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1436 8.2649 123.5815 51.8459 19.3159 175.7487 *2 K 4.1024 8.3382 115.4551 55.9774 33.3408 173.5774 3 P 4.4413 0.0000 0.0000 62.4806 31.9201 175.9951 4 D 4.3512 8.2459 119.4458 54.1929 41.3521 176.1040 5 I 4.2053 7.8291 123.0496 59.5617 39.6904 174.5368 6 Y 5.0607 8.2491 122.7804 56.1725 40.6035 174.6867 7 E 4.7780 8.5230 119.6991 54.8387 32.8957 174.1552 8 N 4.8578 8.5784 116.9053 52.4274 40.9934 173.3428 9 N 4.8984 8.9401 121.7390 53.0894 39.1913 174.7703 10 R 4.5737 8.2993 118.3686 54.0258 32.1313 175.7942 11 E 4.1396 8.5342 120.3435 57.4621 31.0668 178.3712 12 G 3.8427 8.7005 112.5856 46.6071 0.0000 172.4294 13 I 4.8607 8.2855 123.8905 59.8202 39.0957 175.1064 14 L 4.7023 8.6579 127.8261 53.2230 45.0644 174.4185 15 C 4.5951 8.8962 126.9834 56.6783 43.6533 173.1507 16 V 3.8060 8.4654 118.7621 61.5275 33.8600 175.5279 17 Y 4.4211 7.4460 120.6039 55.5386 42.2638 173.8008 18 K 4.6926 7.2323 126.0677 54.9041 35.5796 175.0946 19 N 4.5934 7.8983 122.7997 51.8122 39.4744 173.8372 20 E 4.1397 8.6026 116.1670 58.1413 30.2265 176.6371 21 K 4.6643 8.9236 118.1312 57.1284 34.7871 175.9669 22 W 5.9343 7.9103 114.5913 54.5824 32.3712 172.9189 23 L 5.3779 9.2410 119.2841 54.1474 44.2162 175.4896 24 V 4.7227 9.0326 118.7840 61.4755 34.5033 173.5327 25 C 5.2361 8.6731 124.6988 55.0285 44.9670 173.2960 26 I 4.5038 8.4888 122.4253 59.4245 39.2107 174.4509 27 K 4.9997 8.7139 128.0302 54.9064 34.6472 175.2415 28 N 5.1741 8.8648 125.4769 50.3608 41.2490 174.4450 29 W 4.4955 8.7872 129.3712 58.1894 31.8393 174.9895 30 K 4.2579 7.4798 122.7714 54.1750 35.3772 174.9638 31 P 3.6384 0.0000 0.0000 65.8057 31.2392 177.6118 32 D 4.7986 7.6709 112.9662 53.3732 39.7543 176.1503 33 N 4.8968 8.0117 117.6491 53.4408 39.9162 174.6227 34 D 5.1318 7.5508 118.8492 53.7618 42.0050 176.5690 35 I 3.7768 8.6766 124.3473 64.3440 38.0200 177.0879 36 E 4.1719 8.8481 118.7719 58.1458 29.1338 177.5902 37 G 3.9446 8.1201 106.5332 44.9226 0.0000 173.3580 38 I 3.9681 7.7120 121.3185 61.6746 37.3676 175.5176 39 A 4.6157 8.1560 125.1156 52.0740 21.8735 174.5013 40 H 5.0731 7.2494 108.8130 54.5913 31.4904 172.8897 41 L 4.4409 8.4696 119.2695 52.9829 45.0933 174.8526 42 E 4.7656 8.7383 120.7269 54.4622 33.3064 174.3009 43 I 4.5673 7.9050 122.6471 59.5340 42.0180 173.1289 44 H 5.0436 8.5139 125.2728 54.5583 30.3150 175.0394 45 H 4.7833 9.3088 121.3395 57.6859 28.9874 176.4439 46 S 4.6665 8.1487 110.4376 57.8042 64.9236 173.3502 47 T 4.7149 7.4901 114.0184 60.2330 70.2627 173.0686 48 D 4.8580 8.6517 126.8605 54.1717 42.4705 175.2222 49 E 4.6993 8.8550 120.3010 54.7891 33.2827 174.0012 50 Q 5.2717 8.6924 125.0596 54.2319 32.1401 174.5429 51 F 5.1742 9.4887 120.6125 55.8289 43.1047 174.2376 52 I 5.0423 8.4489 122.2337 59.4976 40.3109 174.7398 53 L 4.3140 8.9074 129.6035 54.6970 42.9369 175.4965 54 S 4.5725 9.2589 120.3728 59.2721 63.9542 173.8744 55 A 4.6447 7.2867 120.9180 51.2706 22.2494 177.2827 56 G 4.1087 8.6040 108.5874 44.7854 0.0000 173.0083 57 K 4.7482 8.3208 116.7821 54.9064 34.9088 175.1980 58 A 5.1805 8.2495 120.9770 51.1139 22.3801 175.5761 59 I 4.4447 8.7464 121.0865 59.2534 40.8387 174.3981 60 L 4.7584 8.5743 129.0961 53.4546 43.7846 175.2254 61 I 4.7748 8.7585 128.7282 60.9804 38.7022 175.2243 62 T 5.4137 8.8195 115.7034 60.3048 71.9559 172.5724 63 A 5.2755 9.0380 123.3045 51.0305 23.3404 174.9067 64 E 5.0256 9.0751 117.4027 54.5301 33.0100 174.6694 65 K 4.6420 8.8309 122.5430 54.8087 33.8932 175.0643 66 E 4.5757 8.9635 128.2014 55.2796 32.9993 175.5921 67 N 3.9227 8.4700 124.3985 55.0159 37.9885 174.6110 68 D 4.7352 8.8895 124.1724 54.5383 41.4056 175.2439 69 K 4.6057 7.8463 118.7395 54.4941 36.0318 175.1803 70 F 5.0604 9.1826 122.5673 56.6240 40.5312 175.1438 71 N 4.8102 9.3824 121.5507 52.3586 39.8285 174.0803 72 I 4.9724 8.4735 124.5871 59.4625 39.8930 174.6677 73 E 4.8512 9.4359 126.8081 54.3253 32.9823 174.3241 74 L 5.1794 8.4902 124.2859 53.2005 44.9794 175.9370 75 T 4.4294 8.4762 119.3018 61.6856 71.5553 174.0080 76 L 3.8883 8.2174 132.2284 54.4596 43.3820 175.2341 *78 E 4.2286 8.4966 114.6970 55.9858 30.7048 175.2801 79 K 4.1694 8.5259 122.3330 57.8952 32.5950 177.4404 80 G 4.0483 9.1605 111.3827 45.0776 0.0000 173.3996 81 K 4.4798 7.4170 118.2198 54.6372 34.3177 175.4434 82 V 4.6765 7.7915 119.6797 61.4209 33.9993 174.1138 83 Y 4.7151 9.0022 124.6555 56.1384 40.8517 174.0241 84 N 5.4506 8.8962 121.6747 51.8185 41.8536 173.4623 85 V 4.2846 8.8902 126.9013 60.6224 33.0193 173.4440 86 P 4.9701 0.0000 0.0000 61.7928 32.7214 176.1131 87 A 4.0986 8.7147 125.0633 54.2730 18.6658 177.8611 88 E 3.6828 9.0888 119.6637 56.7822 27.5551 173.6891 89 C 4.7773 7.4501 119.4293 57.0434 33.3574 173.6551 90 W 4.7160 8.5081 126.4844 57.1389 30.0902 175.1717 91 F 5.3083 8.8770 117.6068 56.8577 41.5306 171.7349 92 Y 4.6933 8.6091 119.2955 57.5675 42.7555 172.4281 93 S 5.1786 8.0053 117.3107 56.7647 65.6863 173.9143 94 I 4.9625 8.7895 123.4233 59.9323 39.8291 174.9904 95 T 5.3378 9.2773 116.6026 60.4011 72.6220 172.4260 96 Q 4.7839 8.9633 120.1863 53.4706 31.8698 177.2720 97 K 3.3102 8.2683 118.0391 58.8573 31.9590 177.9308 98 D 4.7796 7.7579 115.7904 53.1687 39.6529 176.3031 99 T 4.5128 7.9483 118.0706 63.9325 69.7051 173.5457 100 K 5.2252 9.1362 125.5629 53.8137 36.3601 174.5537 *103 Y 4.8886 8.2747 122.0908 56.9420 40.0067 173.6764 104 V 5.0770 8.6867 119.9224 60.3347 34.9883 174.4609 105 Q 5.0220 8.4341 123.7394 54.9942 32.2013 172.6264 106 D 5.0407 8.5309 119.6427 54.5483 41.2398 176.7321 107 S 4.2224 8.9076 119.7132 60.3958 63.6396 175.1314 108 N 4.6942 8.6386 120.2780 52.6390 36.3397 174.2339 109 C 4.8072 7.8134 115.5518 57.7159 31.8741 177.7658 110 S 4.5509 7.6840 117.7908 58.8449 61.9856 175.9950 *112 D 4.5994 8.6341 115.7999 53.6814 42.6562 175.6408 113 N 5.1453 7.8526 113.7582 52.8521 40.2350 174.2294 114 S 4.9984 7.9627 113.6967 57.2677 67.4637 172.5126 115 D 4.8610 8.5900 119.2418 53.3451 45.5443 174.6364 116 F 5.4619 8.8771 118.2269 56.2246 42.4434 174.5965 117 C 4.8870 9.0744 120.2980 57.8424 35.0577 173.1638 118 D 4.9757 8.8074 125.5396 54.5126 41.2089 175.9899 119 L 4.7594 8.4433 122.3964 53.9250 42.9357 177.2619 120 S 4.3786 9.4520 116.9826 57.6332 64.1475 175.3350 121 K 3.8861 8.5960 122.1509 59.6819 31.8598 178.6488 122 E 3.9670 8.1420 119.2063 59.2561 29.5227 178.5232 123 E 4.0924 8.3315 118.6735 59.3708 29.4620 179.3313 124 I 3.7038 8.0329 120.0266 64.5441 37.1332 178.3524 125 E 3.9948 8.3564 119.3773 59.4262 29.2908 178.7715 126 Y 4.1344 8.5713 119.9388 60.8603 38.9379 178.2511 127 I 3.4369 8.1133 120.9013 64.3976 37.2000 178.4394 128 Q 3.9771 8.3884 119.1585 59.2219 28.1094 178.8828 129 T 3.8402 8.0818 116.9564 66.9951 68.4881 176.3473 130 N 4.1274 7.8698 117.6786 55.8533 38.5381 177.5518 131 A 3.7284 8.3984 122.6952 54.7380 18.1552 179.5965 132 R 4.0300 7.8563 116.0904 59.7184 30.4827 179.0810 133 K 4.1459 7.5358 117.5288 59.4204 32.1279 179.2979 134 L 3.9036 8.0624 120.7606 58.1017 41.7315 178.8911 135 F 4.4573 8.1734 117.0274 59.8139 38.8765 176.3194 136 E 4.5793 8.0328 115.7082 55.9628 29.9069 176.0770 137 K 4.1855 7.9245 124.4379 56.6048 32.2553 176.5566 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 0 A 8.26 4.14 1.24 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 0.00 0.00 *2 K 8.34 4.10 0.00 1.76 1.77 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.32 1.42 7.81 3 P 0.00 4.44 0.00 2.08 2.00 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 4 D 8.25 4.35 0.00 2.35 2.34 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 5 I 7.83 4.21 1.79 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 1.30 0.66 0.87 0.00 0.00 6 Y 8.25 5.06 0.00 2.97 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 7 E 8.52 4.78 0.00 2.05 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 2.23 2.33 0.00 8 N 8.58 4.86 0.00 2.64 2.73 0.00 0.00 6.87 7.79 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 9 N 8.94 4.90 0.00 2.75 2.81 0.00 0.00 7.11 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 10 R 8.30 4.57 0.00 1.93 1.89 0.00 3.19 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 11 E 8.53 4.14 0.00 2.04 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 2.31 2.66 0.00 12 G 8.70 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 13 I 8.29 4.86 1.97 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.76 1.01 0.00 0.00 14 L 8.66 4.70 0.00 1.82 1.45 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 15 C 8.90 4.60 0.00 2.97 2.90 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 16 V 8.47 3.81 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 0.69 0.00 0.00 0.85 0.00 0.00 17 Y 7.45 4.42 0.00 2.98 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 18 K 7.23 4.69 0.00 1.48 1.25 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.07 1.23 7.81 19 N 7.90 4.59 0.00 2.47 2.29 0.00 0.00 7.00 7.28 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 20 E 8.60 4.14 0.00 1.92 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 2.21 2.21 0.00 21 K 8.92 4.66 0.00 2.00 2.11 0.00 1.89 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.43 1.39 7.81 22 W 7.91 5.93 0.00 3.49 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 23 L 9.24 5.38 0.00 1.83 1.70 0.97 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 24 V 9.03 4.72 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 0.98 0.00 0.00 1.20 0.00 0.00 25 C 8.67 5.24 0.00 1.23 2.54 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 0.00 0.00 0.00 26 I 8.49 4.50 1.87 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.69 0.95 0.00 0.00 27 K 8.71 5.00 0.00 2.04 1.82 0.00 1.75 0.00 0.00 2.06 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.53 7.81 28 N 8.86 5.17 0.00 2.85 2.89 0.00 0.00 6.89 7.84 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 29 W 8.79 4.50 0.00 3.61 3.11 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 0.00 0.00 0.00 30 K 7.48 4.26 0.00 1.66 1.75 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.34 7.81 31 P 0.00 3.64 0.00 2.04 2.11 0.00 3.27 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 32 D 7.67 4.80 0.00 2.74 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 33 N 8.01 4.90 0.00 2.68 2.81 0.00 0.00 6.60 8.62 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 34 D 7.55 5.13 0.00 3.05 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 35 I 8.68 3.78 2.13 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.02 1.01 0.00 0.00 36 E 8.85 4.17 0.00 2.17 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 0.00 2.55 2.46 0.00 37 G 8.12 3.94 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 0.00 0.00 0.00 38 I 7.71 3.97 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.87 0.87 0.00 0.00 39 A 8.16 4.62 1.18 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 0.00 0.00 40 H 7.25 5.07 0.00 3.12 3.16 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 41 L 8.47 4.44 0.00 1.30 1.62 -0.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 42 E 8.74 4.77 0.00 1.53 1.12 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 1.55 1.47 0.00 43 I 7.90 4.57 0.56 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.65 -0.15 0.00 0.00 44 H 8.51 5.04 0.00 3.16 3.10 0.00 5.67 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 H 9.31 4.78 0.00 3.07 3.39 0.00 5.60 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.15 4.67 0.00 3.80 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 47 T 7.49 4.71 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 1.05 0.00 0.00 48 D 8.65 4.86 0.00 2.56 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 49 E 8.85 4.70 0.00 1.73 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 1.47 1.96 0.00 50 Q 8.69 5.27 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.53 0.00 0.00 0.00 0.00 0.00 2.23 2.32 0.00 51 F 9.49 5.17 0.00 2.96 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 52 I 8.45 5.04 1.96 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 1.30 0.69 0.98 0.00 0.00 53 L 8.91 4.31 0.00 1.66 1.67 1.07 1.02 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 54 S 9.26 4.57 0.00 3.86 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 55 A 7.29 4.64 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 56 G 8.60 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.32 4.75 0.00 1.75 2.00 0.00 1.90 0.00 0.00 2.02 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.41 7.81 58 A 8.25 5.18 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 59 I 8.75 4.44 1.51 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.02 0.68 0.00 0.00 60 L 8.57 4.76 0.00 1.32 1.25 0.29 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 61 I 8.76 4.77 1.97 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 1.23 0.68 0.92 0.00 0.00 62 T 8.82 5.41 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 1.26 0.00 0.00 63 A 9.04 5.28 1.24 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 0.00 0.00 64 E 9.08 5.03 0.00 2.18 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 2.27 2.30 0.00 65 K 8.83 4.64 0.00 1.68 1.77 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.26 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.91 0.21 7.81 66 E 8.96 4.58 0.00 1.92 1.69 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 2.15 2.22 0.00 67 N 8.47 3.92 0.00 2.78 1.78 0.00 0.00 7.02 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 68 D 8.89 4.74 0.00 2.54 2.51 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 69 K 7.85 4.61 0.00 1.51 1.55 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.23 1.44 7.81 70 F 9.18 5.06 0.00 2.95 2.81 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 0.00 71 N 9.38 4.81 0.00 2.66 2.78 0.00 0.00 6.61 7.26 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 72 I 8.47 4.97 2.13 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 1.23 0.67 1.00 0.00 0.00 73 E 9.44 4.85 0.00 2.05 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 2.21 2.30 0.00 74 L 8.49 5.18 0.00 1.42 1.38 0.71 0.70 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 75 T 8.48 4.43 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 1.25 0.00 0.00 76 L 8.22 3.89 0.00 1.50 1.53 0.96 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 *78 E 8.50 4.23 0.00 2.26 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 2.37 2.46 0.00 79 K 8.53 4.17 0.00 1.79 1.80 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.69 1.50 7.81 80 G 9.16 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 81 K 7.42 4.48 0.00 1.76 1.32 0.00 1.67 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.32 1.35 7.81 82 V 7.79 4.68 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 0.82 0.00 0.00 0.91 0.00 0.00 83 Y 9.00 4.72 0.00 3.07 2.90 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 84 N 8.90 5.45 0.00 2.68 2.68 0.00 0.00 6.90 7.71 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 85 V 8.89 4.28 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 0.84 0.00 0.00 0.86 0.00 0.00 86 P 0.00 4.97 0.00 2.12 1.95 0.00 3.69 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 87 A 8.71 4.10 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 88 E 9.09 3.68 0.00 2.10 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 2.21 2.38 0.00 89 C 7.45 4.78 0.00 2.90 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 90 W 8.51 4.72 0.00 3.65 2.99 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 91 F 8.88 5.31 0.00 3.17 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 92 Y 8.61 4.69 0.00 2.87 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 93 S 8.01 5.18 0.00 3.58 3.67 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 0.00 0.00 0.00 0.00 94 I 8.79 4.96 1.83 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.78 1.19 0.00 0.00 95 T 9.28 5.34 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 1.28 0.00 0.00 96 Q 8.96 4.78 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.83 0.00 0.00 0.00 0.00 0.00 1.76 1.62 0.00 97 K 8.27 3.31 0.00 1.36 1.46 0.00 1.21 0.00 0.00 0.99 0.00 0.00 2.43 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.58 7.81 98 D 7.76 4.78 0.00 2.75 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 99 T 7.95 4.51 4.47 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 1.34 0.00 0.00 100 K 9.14 5.23 0.00 1.84 1.62 0.00 1.75 0.00 0.00 1.84 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.45 7.81 *103 Y 8.27 4.89 0.00 2.66 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 0.00 104 V 8.69 5.08 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 1.20 0.00 0.00 0.92 0.00 0.00 105 Q 8.43 5.02 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.86 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 106 D 8.53 5.04 0.00 2.75 2.61 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 0.00 107 S 8.91 4.22 0.00 3.83 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 0.00 108 N 8.64 4.69 0.00 2.73 2.83 0.00 0.00 6.89 8.32 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 0.00 109 C 7.81 4.81 0.00 3.13 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 0.00 110 S 7.68 4.55 0.00 4.10 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 *112 D 8.63 4.60 0.00 2.73 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 0.00 113 N 7.85 5.15 0.00 2.76 2.79 0.00 0.00 6.64 7.45 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 0.00 114 S 7.96 5.00 0.00 3.65 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 0.00 115 D 8.59 4.86 0.00 2.47 2.65 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 0.00 116 F 8.88 5.46 0.00 2.88 2.88 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 0.00 117 C 9.07 4.89 0.00 2.98 2.32 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 0.00 118 D 8.81 4.98 0.00 2.60 2.58 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 0.00 119 L 8.44 4.76 0.00 1.48 1.58 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 120 S 9.45 4.38 0.00 3.94 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 0.00 121 K 8.60 3.89 0.00 1.84 1.85 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.50 7.81 122 E 8.14 3.97 0.00 2.07 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 2.34 2.41 0.00 123 E 8.33 4.09 0.00 2.34 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 2.37 2.36 0.00 124 I 8.03 3.70 2.01 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 1.63 0.80 0.99 0.00 0.00 125 E 8.36 3.99 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 2.49 0.00 126 Y 8.57 4.13 0.00 3.05 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 0.00 127 I 8.11 3.44 1.99 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 1.50 0.57 0.85 0.00 0.00 128 Q 8.39 3.98 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.77 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 129 T 8.08 3.84 4.32 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 1.19 0.00 0.00 130 N 7.87 4.13 0.00 2.43 2.62 0.00 0.00 6.99 7.20 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 0.00 131 A 8.40 3.73 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 0.00 132 R 7.86 4.03 0.00 2.05 2.07 0.00 3.20 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.87 0.00 133 K 7.54 4.15 0.00 1.74 1.84 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.54 7.81 134 L 8.06 3.90 0.00 1.72 1.44 0.86 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.17 4.46 0.00 3.25 2.99 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 0.00 136 E 8.03 4.58 0.00 2.06 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 2.52 2.50 0.00 137 K 7.92 4.19 0.00 1.86 1.72 0.00 1.71 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.59 7.81 * Residues marked with a * may have inaccurate shift predictions.