NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 P 4.4852 0.0000 0.0000 62.4593 32.7764 176.6172 6 T 3.9531 9.3688 111.9024 60.9345 70.6337 174.1644 7 I 3.6660 8.4597 123.0759 64.7516 37.6488 178.9606 8 N 4.2642 8.2604 117.1494 57.0916 38.5257 176.3467 9 Q 3.9564 8.4437 119.2266 59.2417 28.8826 178.9837 10 L 3.9159 8.5386 120.1608 57.7506 41.3383 180.0285 11 V 3.5388 8.2460 118.3728 66.0221 31.6296 178.0508 12 R 4.0680 8.3128 116.6393 58.8875 30.0571 177.8055 13 K 4.2399 8.6378 115.9757 55.1554 34.0384 177.0211 14 G 3.9206 7.8051 109.6277 44.1338 0.0000 173.2457 15 R 4.0608 8.2213 117.3851 55.8122 30.6267 176.3938 16 E 4.4851 8.2807 119.9301 53.9092 30.8584 175.7917 17 K 4.0157 8.6690 126.6312 56.5810 32.5995 176.7677 18 V 4.3558 8.2129 123.2371 61.0891 33.4330 174.7477 19 R 4.6062 8.2197 124.6553 54.4222 31.8177 176.3685 20 K 4.2945 8.3376 121.1951 55.7885 33.1271 176.5857 21 K 4.3722 8.2485 121.5691 54.9606 33.2523 176.9674 22 S 4.1572 8.5233 118.0138 58.7220 62.7818 173.9005 23 K 4.3687 8.4387 124.7934 56.6034 32.5285 177.6448 24 V 4.2510 7.7021 118.8838 60.9093 31.9101 174.0064 25 P 4.5350 0.0000 0.0000 61.7347 28.7457 176.1299 26 A 4.1285 7.6395 118.6026 53.0253 20.0246 177.9630 27 L 3.0430 8.1776 119.2270 58.1976 42.3786 173.8358 28 K 4.0154 9.5543 116.3885 57.8670 31.0409 175.1041 29 G 3.7235 8.0151 106.1851 45.8566 0.0000 174.3931 30 A 4.4706 7.1660 124.3235 50.3702 20.2765 176.5753 31 P 4.1558 0.0000 0.0000 65.0883 31.8166 176.5409 32 F 5.1892 7.6078 115.1137 56.0993 43.2236 173.8353 33 R 4.7587 8.9310 120.5718 54.8047 33.8998 173.9765 34 R 5.0735 8.6126 124.9531 55.7930 32.5652 174.9250 35 G 4.3391 8.5943 110.1137 46.0227 0.0000 171.7296 36 V 4.9947 8.4654 119.3919 60.8328 34.8137 174.4458 37 C 4.5825 8.6407 124.6129 60.6024 28.0144 173.5078 38 T 4.2831 9.2518 121.4168 65.3050 69.1113 175.4021 39 V 4.4776 7.5363 119.1547 60.4217 35.5456 174.4079 40 V 4.7300 7.6718 121.8470 60.7584 30.4511 173.8079 41 R 4.2580 7.7681 123.1089 56.8483 32.1477 175.1464 42 T 4.9656 8.2600 113.3394 60.3362 70.3232 173.1306 43 V 4.7122 9.3743 127.9321 61.2824 35.5808 173.8579 44 T 5.2696 8.6042 115.1448 58.7981 70.4456 172.8660 45 P 4.8519 0.0000 0.0000 62.6329 32.9586 175.0321 46 K 4.0263 8.1620 118.0558 57.8386 34.9846 181.2534 47 K 3.6729 8.8702 119.5273 56.3186 34.2271 173.3898 48 P 4.3176 0.0000 0.0000 65.2648 32.0489 177.1637 49 N 4.8747 7.9430 115.1587 52.0052 40.1957 174.3465 50 S 4.4478 7.7009 113.1473 56.4675 65.4086 173.3784 51 A 4.3449 7.9064 130.5426 52.5418 20.6599 175.1830 52 L 4.9242 7.9790 120.4442 53.1742 41.0964 175.8866 53 R 4.1845 9.1274 124.6959 56.0392 31.9326 175.0257 54 K 4.5439 8.5529 125.6582 55.7733 33.6139 175.9942 55 V 4.9858 8.4169 123.7536 61.0093 35.9610 173.7516 56 A 4.8997 8.6384 123.7538 50.0933 22.9765 175.4908 57 K 4.5651 9.1487 123.9868 55.2417 33.1250 175.1708 58 V 4.5129 9.0168 128.9498 61.6830 33.5119 174.6082 59 R 4.8098 9.0891 128.9363 54.8689 31.2842 175.3990 60 L 4.8399 10.2219 127.5268 54.5913 42.5477 178.6037 61 T 4.0018 8.9558 113.3708 64.2772 69.4004 175.6483 62 S 4.4053 8.1756 115.0074 58.3405 62.7208 176.0574 63 G 3.9992 7.9533 108.6036 46.5412 0.0000 173.9553 64 Y 4.3774 7.6206 117.9481 57.1815 39.9613 174.5751 65 E 5.4769 8.7138 122.4345 53.7255 31.2485 174.9733 66 V 4.7668 8.1252 119.3229 59.2844 35.9640 174.7784 67 T 4.9197 8.5318 112.5511 61.2937 70.2038 173.8995 68 A 5.1032 9.2939 125.9535 50.1774 22.7661 174.8477 69 Y 4.3065 9.1879 123.2095 57.8177 40.3547 174.7103 70 I 4.6477 6.6122 126.4738 58.0740 37.1222 173.7469 71 P 4.6302 0.0000 0.0000 63.3757 32.0359 177.8896 72 G 4.0642 8.9273 102.9678 45.8416 0.0000 173.6396 73 E 4.2221 8.4311 118.8820 58.8597 30.8626 180.1690 74 G 4.0133 7.3372 105.0560 45.2054 0.0000 175.4613 75 H 4.4174 9.7936 125.7610 56.4789 30.1401 174.5660 76 N 5.0931 8.4771 125.6554 52.1288 37.2800 174.0909 77 L 4.7375 8.0579 116.8404 54.1525 44.2161 176.2922 78 Q 4.6451 8.8771 120.7501 53.5728 32.6371 175.9310 79 E 3.9112 8.7938 119.0860 58.9875 29.6716 176.9509 80 H 4.9625 8.3794 112.4316 56.6159 31.9387 173.3591 81 S 4.5034 8.1716 116.2490 58.4369 63.9940 173.7003 82 V 4.2957 9.1714 125.9230 62.8516 32.6777 175.0125 83 V 5.0340 9.0039 126.2592 61.4748 35.9385 172.9854 84 L 5.2679 8.5436 126.3570 53.4868 44.0813 175.4390 85 I 4.8348 9.3815 128.5878 61.0500 38.4251 176.5654 86 R 4.7008 9.1603 119.9925 54.8062 30.9327 173.4251 87 G 4.0097 8.3404 113.7351 44.7787 0.0000 171.3211 88 G 3.2643 7.6072 111.3254 43.9821 0.0000 173.5213 89 R 4.2940 7.9566 123.3844 55.0681 31.1488 175.6944 90 V 4.0983 8.1178 118.2741 60.6225 32.3607 176.4592 91 K 3.9088 8.6202 129.0390 59.0837 32.4730 177.0779 92 D 4.4881 7.9656 117.2881 54.7656 41.1082 175.3803 93 L 4.6406 7.3835 119.6141 51.8131 42.2403 174.0573 94 P 4.2573 0.0000 0.0000 63.8106 31.7773 176.8589 95 G 3.8134 8.8850 109.1120 46.4450 0.0000 173.9886 96 V 4.3058 7.5426 118.9352 60.9537 32.2482 175.5132 97 R 4.5361 8.4949 123.5337 55.6855 31.1925 175.1544 98 Y 5.2088 7.7062 115.0850 56.6525 42.7269 173.7456 99 H 5.5000 9.0598 117.5451 54.2872 32.5359 173.1188 100 I 4.6668 8.7273 122.3189 60.2733 38.1611 175.9998 101 V 3.8900 8.7746 127.6907 62.1780 32.0330 175.4806 102 R 4.2596 8.4874 128.6315 56.6279 30.4731 177.1975 103 G 3.9620 8.2830 110.3121 45.2312 0.0000 173.7782 104 V 4.1624 7.3120 119.1858 61.9515 34.7399 174.4479 105 Y 3.9578 8.0943 122.9104 60.0145 35.5188 170.3582 106 D 4.5556 9.4019 128.7713 55.5482 40.8618 176.1291 107 A 4.4634 7.6729 124.2895 49.9598 18.6974 176.9623 108 A 4.3157 8.8390 125.1060 53.2506 19.0920 177.1193 109 G 4.4438 8.4720 107.9060 44.6905 0.0000 173.5107 110 V 3.5561 7.7907 122.9714 62.4332 32.0004 175.5914 111 K 4.2655 8.8118 128.9436 56.2869 34.0974 176.4711 112 D 4.3893 8.6997 121.9312 54.7938 38.3585 173.8021 113 R 4.1510 7.4401 119.4196 55.9085 30.3629 176.2608 114 K 4.5910 8.6120 122.5579 55.7990 35.1767 176.5134 115 K 4.1319 7.9917 118.1432 57.5086 32.1488 178.5537 116 S 4.6491 9.0428 117.0035 60.2046 63.4016 177.3743 117 R 3.9703 9.1243 124.0976 59.5328 29.7395 179.0927 118 S 4.1235 8.3061 112.2656 61.1024 63.1232 174.8467 119 K 3.9615 7.8066 118.8884 56.9376 32.1711 177.1162 120 Y 3.7137 8.1644 116.7776 57.5861 36.2461 169.1113 121 G 4.2469 7.3157 104.2881 45.3904 0.0000 171.3265 122 T 4.7268 8.4307 114.2298 61.5469 71.2714 174.7598 123 K 4.0520 8.5926 126.1084 55.9217 32.7395 177.0277 124 K 4.0524 8.4473 123.5190 55.8684 32.6425 174.9693 125 P 4.5931 0.0000 0.0000 61.4796 32.5522 175.7318 126 K 4.1399 8.4219 119.9256 56.5068 32.9976 176.3001 127 E 4.2606 8.5479 122.2185 54.7469 30.8414 175.4269 128 A 4.0068 8.0482 122.8597 52.3608 21.7246 176.1612 *129 A 4.1172 8.5142 120.8710 52.7487 18.9464 176.7187 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 5 P 0.00 4.49 0.00 2.19 2.12 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 6 T 9.37 3.95 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 7 I 8.46 3.67 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 1.52 1.16 0.91 0.00 0.00 8 N 8.26 4.26 0.00 2.82 2.84 0.00 0.00 7.09 7.12 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 9 Q 8.44 3.96 0.00 2.37 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 10 L 8.54 3.92 0.00 1.75 1.73 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.25 3.54 2.28 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 0.83 0.00 0.00 0.97 0.00 0.00 12 R 8.31 4.07 0.00 1.87 1.98 0.00 3.17 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 13 K 8.64 4.24 0.00 1.67 1.82 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.34 7.81 14 G 7.81 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 15 R 8.22 4.06 0.00 1.81 1.88 0.00 3.31 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 16 E 8.28 4.49 0.00 1.87 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 0.00 2.17 2.28 0.00 17 K 8.67 4.02 0.00 1.78 1.74 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.43 7.81 18 V 8.21 4.36 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 0.82 0.00 0.00 1.04 0.00 0.00 19 R 8.22 4.61 0.00 1.83 1.82 0.00 3.25 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 20 K 8.34 4.29 0.00 1.73 1.72 0.00 1.74 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.39 7.81 21 K 8.25 4.37 0.00 1.72 1.73 0.00 1.64 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.41 1.48 7.81 22 S 8.52 4.16 0.00 3.81 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 23 K 8.44 4.37 0.00 1.68 1.71 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.33 1.36 7.81 24 V 7.70 4.25 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 0.89 0.00 0.00 0.76 0.00 0.00 25 P 0.00 4.53 0.00 1.99 1.96 0.00 3.81 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 26 A 7.64 4.13 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 27 L 8.18 3.04 0.00 1.66 1.55 1.07 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 9.55 4.02 0.00 1.84 2.01 0.00 1.89 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.44 7.81 29 G 8.02 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 30 A 7.17 4.47 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 31 P 0.00 4.16 0.00 1.54 1.98 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.01 0.00 32 F 7.61 5.19 0.00 2.91 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 33 R 8.93 4.76 0.00 1.91 1.68 0.00 3.17 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 34 R 8.61 5.07 0.00 2.11 1.80 0.00 2.71 0.00 0.00 2.97 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 35 G 8.59 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 0.00 0.00 0.00 36 V 8.47 4.99 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 1.03 0.00 0.00 0.90 0.00 0.00 37 C 8.64 4.58 0.00 3.03 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 38 T 9.25 4.28 4.42 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 1.24 0.00 0.00 39 V 7.54 4.48 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 1.08 0.00 0.00 0.93 0.00 0.00 40 V 7.67 4.73 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 1.06 0.00 0.00 0.91 0.00 0.00 41 R 7.77 4.26 0.00 1.94 1.84 0.00 3.19 0.00 0.00 3.28 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 42 T 8.26 4.97 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 1.22 0.00 0.00 43 V 9.37 4.71 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 1.06 0.00 0.00 0.97 0.00 0.00 44 T 8.60 5.27 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 1.23 0.00 0.00 45 P 0.00 4.85 0.00 2.20 2.16 0.00 3.78 0.00 0.00 3.82 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 46 K 8.16 4.03 0.00 1.85 1.96 0.00 1.31 0.00 0.00 1.57 0.00 0.00 2.93 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.36 7.81 47 K 8.87 3.67 0.00 1.80 1.98 0.00 1.68 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.49 7.81 48 P 0.00 4.32 0.00 2.21 2.19 0.00 3.97 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 49 N 7.94 4.87 0.00 2.89 2.79 0.00 0.00 6.72 7.27 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 50 S 7.70 4.45 0.00 3.78 3.69 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 51 A 7.91 4.34 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 52 L 7.98 4.92 0.00 1.55 1.66 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 53 R 9.13 4.18 0.00 2.08 1.96 0.00 3.16 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.95 0.00 54 K 8.55 4.54 0.00 1.55 1.55 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.56 1.51 7.81 55 V 8.42 4.99 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 1.04 0.00 0.00 1.03 0.00 0.00 56 A 8.64 4.90 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 57 K 9.15 4.57 0.00 1.88 1.82 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.38 1.42 7.81 58 V 9.02 4.51 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 0.87 0.00 0.00 0.93 0.00 0.00 59 R 9.09 4.81 0.00 1.88 1.79 0.00 3.13 0.00 0.00 3.16 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 60 L 10.22 4.84 0.00 1.89 1.70 0.91 0.45 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 61 T 8.96 4.00 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 1.22 0.00 0.00 62 S 8.18 4.41 0.00 4.09 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 63 G 7.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.62 4.38 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 65 E 8.71 5.48 0.00 1.93 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 2.18 2.31 0.00 66 V 8.13 4.77 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 0.85 0.00 0.00 0.55 0.00 0.00 67 T 8.53 4.92 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 1.28 0.00 0.00 68 A 9.29 5.10 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 69 Y 9.19 4.31 0.00 2.97 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 70 I 6.61 4.65 1.49 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.65 0.69 0.00 0.00 71 P 0.00 4.63 0.00 2.55 2.48 0.00 3.84 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.16 0.00 72 G 8.93 4.06 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 0.00 0.00 0.00 73 E 8.43 4.22 0.00 1.90 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 2.29 2.27 0.00 74 G 7.34 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 0.00 0.00 0.00 75 H 9.79 4.42 0.00 3.12 3.60 0.00 5.70 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 76 N 8.48 5.09 0.00 2.81 2.80 0.00 0.00 6.18 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 77 L 8.06 4.74 0.00 1.70 1.63 0.84 0.95 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 78 Q 8.88 4.65 0.00 2.03 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.27 0.00 79 E 8.79 3.91 0.00 1.89 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 2.21 2.40 0.00 80 H 8.38 4.96 0.00 3.01 3.20 0.00 5.71 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.17 4.50 0.00 3.80 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 82 V 9.17 4.30 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 0.40 0.00 0.00 0.88 0.00 0.00 83 V 9.00 5.03 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 0.92 0.00 0.00 0.99 0.00 0.00 84 L 8.54 5.27 0.00 1.49 1.32 1.03 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 85 I 9.38 4.83 2.02 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 1.31 0.72 0.92 0.00 0.00 86 R 9.16 4.70 0.00 2.03 2.29 0.00 3.19 0.00 0.00 3.39 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.61 0.00 87 G 8.34 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 0.00 0.00 0.00 88 G 7.61 3.26 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 89 R 7.96 4.29 0.00 2.00 1.83 0.00 2.99 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.59 0.00 90 V 8.12 4.10 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 0.78 0.00 0.00 0.33 0.00 0.00 91 K 8.62 3.91 0.00 1.70 1.79 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.38 7.81 92 D 7.97 4.49 0.00 2.78 2.67 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 93 L 7.38 4.64 0.00 1.66 1.63 1.07 0.99 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 94 P 0.00 4.26 0.00 2.05 1.99 0.00 3.76 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 95 G 8.88 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 0.00 0.00 0.00 0.00 96 V 7.54 4.31 2.19 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 1.19 0.00 0.00 1.05 0.00 0.00 97 R 8.49 4.54 0.00 1.17 1.44 0.00 3.13 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 98 Y 7.71 5.21 0.00 2.91 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 99 H 9.06 5.50 0.00 3.17 3.29 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.73 4.67 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 1.16 0.67 0.94 0.00 0.00 101 V 8.77 3.89 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 0.81 0.00 0.00 1.02 0.00 0.00 102 R 8.49 4.26 0.00 2.00 2.05 0.00 3.46 0.00 0.00 3.54 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 103 G 8.28 3.96 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 0.00 0.00 0.00 104 V 7.31 4.16 1.73 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 -0.12 0.00 0.00 0.63 0.00 0.00 105 Y 8.09 3.96 0.00 3.20 2.64 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 0.00 106 D 9.40 4.56 0.00 2.95 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 0.00 107 A 7.67 4.46 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 0.00 108 A 8.84 4.32 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 0.00 109 G 8.47 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 0.00 0.00 0.00 0.00 110 V 7.79 3.56 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 0.97 0.00 0.00 111 K 8.81 4.27 0.00 1.92 1.64 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.47 1.53 7.81 112 D 8.70 4.39 0.00 2.86 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 0.00 113 R 7.44 4.15 0.00 2.09 1.84 0.00 3.36 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 114 K 8.61 4.59 0.00 1.73 1.79 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.55 7.81 115 K 7.99 4.13 0.00 1.82 1.61 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.44 7.81 116 S 9.04 4.65 0.00 4.19 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 0.00 117 R 9.12 3.97 0.00 1.84 2.17 0.00 3.26 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.57 0.00 118 S 8.31 4.12 0.00 3.99 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 0.00 119 K 7.81 3.96 0.00 1.47 1.23 0.00 1.72 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.35 1.34 7.81 120 Y 8.16 3.71 0.00 3.33 3.13 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 0.00 121 G 7.32 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 0.00 0.00 0.00 0.00 122 T 8.43 4.73 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 1.34 0.00 0.00 123 K 8.59 4.05 0.00 1.75 1.75 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.44 7.81 124 K 8.45 4.05 0.00 1.72 1.73 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.43 7.81 125 P 0.00 4.59 0.00 2.22 2.03 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 126 K 8.42 4.14 0.00 1.87 1.88 0.00 1.45 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.49 7.81 127 E 8.55 4.26 0.00 2.10 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 2.24 2.30 0.00 128 A 8.05 4.01 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 *129 A 8.51 4.12 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 * Residues marked with a * may have inaccurate shift predictions.