NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-7 H 4.7102 8.5445 117.3759 54.3319 29.7504 172.8166 -6 E 4.5798 8.3100 116.4940 52.8625 32.3470 174.8006 -5 N 4.5300 9.4677 121.6139 53.8159 39.8598 174.4688 -4 L 4.3943 8.6135 125.1094 55.0384 42.5392 176.0947 -3 Y 4.7209 8.0823 116.3351 56.0339 40.7464 175.3283 -2 F 4.7291 8.2763 124.0151 57.7146 42.0818 174.4811 -1 Q 3.3446 8.7623 128.7947 55.9767 25.7583 173.7529 0 G 3.6840 7.5558 99.1499 46.5910 0.0000 173.0937 -5 K 4.1100 9.3577 123.3139 56.9159 34.0598 175.8688 -4 I 4.2243 8.4535 123.2094 61.0384 38.9392 174.8947 -3 P 4.5909 0.0000 0.0000 61.4339 35.0464 176.7283 -2 K 4.4291 8.2663 124.1151 56.2146 35.5818 175.2811 -1 I 3.1746 8.4423 128.8947 61.3767 35.1583 174.1529 0 Y 4.2740 7.3458 110.6499 59.3911 34.1504 174.0937 8 V 4.5082 8.7413 123.8827 60.5184 34.8620 174.3501 9 E 4.5396 8.2813 128.7109 56.9684 29.9143 177.4040 10 G 3.9566 9.2030 113.5089 46.0686 0.0000 174.0373 11 E 4.1761 7.9328 123.3379 54.5124 28.1681 176.8407 12 L 2.4400 7.0136 117.7944 54.4689 41.5892 178.0089 13 N 4.7292 7.5691 122.5266 52.3168 39.3576 174.4392 14 D 4.7008 8.6652 116.6259 53.6292 40.0619 172.4810 15 G 4.0640 8.1878 108.8186 45.5980 0.0000 173.3256 16 D 4.7431 8.4136 118.0352 54.6069 42.1812 176.1189 17 R 5.7543 8.8141 118.4696 53.4180 35.1061 174.6241 18 V 4.4953 7.7171 119.1143 59.9652 34.7214 173.7905 19 A 4.4749 8.5433 127.8111 50.6241 20.7051 175.7974 20 I 4.4042 8.6835 124.2751 59.8913 39.0342 174.9284 21 E 4.7610 9.0302 129.0795 54.1261 33.8479 176.5196 22 K 3.9865 9.2358 120.8039 56.9127 28.9645 174.0265 23 D 4.7736 9.2635 111.8274 54.7944 37.2218 176.9328 24 G 4.0450 8.6175 107.7117 46.1449 0.0000 174.5598 25 N 4.5404 7.6005 115.1356 53.5631 39.3056 174.7336 26 A 4.6389 8.0978 121.0092 49.9548 21.9951 174.9123 27 I 4.4139 8.3175 123.3072 59.4667 39.7677 175.4010 28 I 4.2412 8.1008 127.8038 59.1402 40.0027 174.9600 29 F 4.4629 8.5183 126.8916 57.0223 39.1499 175.5284 30 L 4.4504 8.4427 127.3593 54.3403 42.6563 177.9152 31 E 4.2063 8.8586 120.9550 55.9126 30.6676 177.5345 32 K 3.8797 8.9459 125.6099 58.2958 31.6240 178.2439 33 D 4.8657 8.0683 117.0803 53.2071 40.0603 178.5645 34 E 4.1996 8.3197 119.4490 57.2233 30.1809 182.0477 35 E 4.3900 8.5180 119.7590 55.1387 31.2298 173.1472 36 Y 4.4693 7.9330 114.5701 60.0267 40.2756 175.1034 37 S 4.4924 8.2593 127.7738 57.2035 63.3528 170.4904 38 G 3.6495 5.6325 112.9404 45.0714 0.0000 173.7345 39 N 4.6786 8.5395 114.0401 52.2209 37.3817 173.9122 40 G 4.2534 7.8914 106.9602 45.5830 0.0000 173.8128 41 K 4.5244 8.5955 119.1436 55.8214 33.5750 176.4434 42 L 4.8111 8.4555 123.4431 53.0252 44.3151 175.1216 43 L 4.9665 8.4545 123.4746 53.2103 44.4435 174.9104 44 Y 5.1520 9.0959 121.9882 55.9349 40.4520 175.1330 45 Q 4.5250 8.9268 125.8679 56.6420 29.6341 175.6222 46 V 4.6703 7.9789 117.8819 59.1207 36.2314 175.2046 47 I 3.7805 8.3097 122.3774 61.7371 37.3506 176.4634 48 Y 4.4745 8.4742 126.1736 56.5799 36.9533 173.7504 49 D 4.8219 8.1185 121.6716 53.3924 41.9647 175.4798 50 D 4.5515 9.2220 120.9892 51.7006 44.9503 175.0233 51 L 3.8858 7.2886 123.5676 55.2185 42.8587 178.3384 52 A 3.9448 7.6048 121.4906 55.1001 18.3926 178.9918 53 K 3.8668 7.5584 113.8440 59.5421 33.1469 176.8633 54 Y 4.4234 7.0047 118.7754 57.3420 37.7600 176.3085 *56 S 4.3524 7.7313 114.3000 58.6133 64.4106 174.6560 57 L 3.5305 8.4198 130.8988 56.2369 40.4355 175.5324 58 D 4.8051 9.0338 129.0674 54.1876 39.9992 175.1947 59 T 5.0455 7.5187 117.0894 61.5717 70.8968 174.2385 60 L 4.3031 8.6730 126.8891 55.0643 42.3630 177.6467 61 K 4.5930 9.0469 122.7710 56.8368 33.4185 176.4714 62 K 4.7610 7.6714 119.1149 54.5475 36.2096 175.8902 63 D 4.6888 9.3789 123.5787 54.7253 42.2547 175.6755 64 V 5.1798 8.9259 121.2389 61.2474 35.4948 173.7239 65 L 5.4711 8.7394 127.7383 53.4513 45.0675 175.2187 66 I 5.3201 9.4104 126.9301 59.7420 40.2081 174.0972 67 Q 5.1386 8.8851 128.3088 54.9114 30.3551 174.8064 68 Y 4.4378 9.5477 124.9308 57.3411 38.7376 175.4549 69 P 4.5309 0.0000 0.0000 65.1786 31.6082 177.5038 70 D 4.4027 8.1821 116.5491 54.3210 39.3760 177.3486 71 K 4.0529 8.6380 118.2804 57.0644 30.2068 176.0471 72 H 4.7566 8.9657 115.3344 55.6760 31.3111 173.8136 73 T 4.6660 8.0447 115.7922 62.0129 70.3508 173.8918 74 L 5.5614 8.2269 123.6820 54.7179 44.2084 174.9633 75 T 4.7898 9.5994 115.2582 60.6086 70.4837 171.6583 76 Y 5.2829 8.9295 129.8591 56.0227 40.7479 174.5893 77 L 4.4287 8.7674 127.7831 52.5450 44.0762 176.4849 78 K 4.3196 7.9339 123.3687 55.4952 33.4740 176.9522 79 A 4.1963 9.0476 126.2148 53.9900 18.7701 178.0309 80 G 4.0309 9.2759 110.7545 45.4235 0.0000 174.4701 81 T 3.9819 7.6463 117.3346 63.7411 69.2695 173.9584 82 K 4.8762 8.6343 125.9058 55.9540 33.2140 176.2180 83 L 4.9793 8.8143 123.1259 53.0959 46.1733 175.9671 84 I 4.4139 8.3526 121.7516 60.0529 39.1191 174.7417 85 S 4.7809 8.6975 123.9281 57.2423 64.2349 173.9092 86 V 4.4166 9.0458 125.4094 60.4199 33.7260 172.9774 87 P 5.1525 0.0000 0.0000 62.5123 33.1914 176.2332 88 A 4.5924 9.1731 122.6012 50.6830 21.2447 174.1475 89 E 5.0899 8.3941 121.2819 55.2722 32.6131 175.1577 90 G 3.9520 8.5506 111.7188 46.3891 0.0000 173.1919 91 Y 4.3440 9.0791 120.5445 60.2119 39.2858 176.8836 92 K 4.4731 8.3403 117.5752 54.4697 36.6003 175.5252 93 V 4.4823 8.0573 123.5741 61.2988 34.4660 174.7719 94 Y 4.5787 8.8464 125.3523 54.9945 39.4457 172.5158 95 P 4.8354 0.0000 0.0000 61.9546 32.4826 176.2968 96 I 4.2117 8.4458 124.4064 60.6784 38.7221 174.4147 *98 D 4.3136 7.8092 117.7057 52.8844 42.1035 173.3653 99 F 4.1874 8.7288 121.7214 59.9931 39.3446 175.5329 100 G 3.5209 7.9036 115.2250 45.2954 0.0000 173.6837 101 F 4.5117 8.0843 119.3585 57.0622 40.1556 175.2559 102 R 4.7475 8.5957 119.4886 56.2326 30.6580 176.1053 103 V 4.5060 8.9488 120.4442 60.1505 35.2690 173.9877 104 L 4.7025 6.4006 121.9087 52.0830 44.9250 175.8830 105 K 4.1795 8.4397 123.7725 58.3412 32.4530 177.3156 106 G 4.0672 9.2059 115.2092 45.2143 0.0000 173.4322 107 Y 4.4382 7.9563 117.9048 58.0493 39.2304 175.3613 108 R 4.5519 8.3169 123.1433 55.8249 30.4388 175.9014 109 L 4.2079 9.0903 126.8156 56.7712 43.2798 176.5999 110 A 5.0809 7.6030 117.6749 51.1308 22.8658 175.1982 111 T 4.9927 8.7600 117.2733 62.1300 70.9584 173.9201 112 L 5.2506 8.7526 125.5309 52.8600 45.4443 175.0231 113 E 5.1729 9.2506 123.8948 54.4623 32.9545 175.9026 114 S 4.9151 8.7143 121.5903 56.7550 64.7221 175.0321 115 K 2.9056 8.0221 121.2447 59.0515 31.7398 177.9280 116 K 3.9642 7.6824 116.4477 57.7421 32.1269 177.6917 117 G 4.0285 8.0781 107.0233 45.0197 0.0000 173.1841 118 D 4.5663 8.0776 120.5638 53.6857 41.6029 175.2164 119 L 5.0782 8.2385 123.5220 53.6677 43.3973 175.8436 120 R 4.5138 8.4348 120.7225 54.6031 35.0287 173.5304 121 Y 5.2078 8.1975 116.0144 56.4531 42.2645 175.2500 122 V 4.3430 8.8028 122.8198 61.4844 33.2805 174.5144 123 N 5.3771 8.6118 124.8394 51.4856 42.0812 173.8396 124 S 4.6388 8.8854 116.6527 57.4743 63.2120 173.1191 125 P 4.6202 0.0000 0.0000 63.9345 31.8610 176.0697 126 V 4.5225 7.2656 111.4391 59.9422 35.9346 174.6853 127 S 4.7293 8.9214 117.4287 56.9677 65.0601 174.3878 128 G 4.1533 7.2184 111.3434 46.2540 0.0000 172.2772 129 T 5.1218 8.2647 121.4884 61.4950 72.3751 173.8388 130 V 4.2254 8.8758 126.4965 62.8758 32.2106 176.1190 131 I 4.4354 8.7784 121.4612 60.9875 38.7099 174.6090 132 F 5.0657 8.0865 123.8616 58.8587 43.0501 171.8348 *134 N 4.6057 8.3785 118.9267 52.9386 39.5963 172.5704 135 E 3.7994 8.0795 122.8731 55.8523 30.6595 175.6040 136 I 4.3011 8.2013 127.3795 58.7850 38.7207 173.8645 137 P 4.1502 0.0000 0.0000 63.5376 31.5358 175.5725 138 S 4.4529 8.3147 119.1622 57.9687 65.2866 175.1701 139 E 3.9995 9.0230 122.1102 59.0707 29.5652 177.8547 140 R 4.6816 7.5197 117.6910 54.4764 32.5547 177.2658 141 A 4.2478 8.2880 118.6546 53.3641 19.6409 176.5711 142 N 5.2898 8.5098 120.6009 52.3655 42.4001 172.6803 143 Y 5.2602 9.2422 123.2022 56.1262 42.5750 174.8819 144 V 4.9206 8.2985 119.5908 60.1838 34.6820 174.6461 145 F 5.0670 9.5547 122.7434 56.0531 41.7622 174.4459 146 Y 5.5131 9.1292 120.5042 55.2351 42.0753 174.4912 *148 L 4.3082 8.1789 120.7412 54.8206 43.2500 175.2350 149 E 4.6842 8.7771 128.3229 55.7537 30.5193 176.4111 150 E 4.1631 8.7575 123.8648 56.6637 29.7639 176.4980 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 *-7 H 8.54 4.71 0.00 2.95 2.92 0.00 7.13 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -6 E 8.31 4.58 0.00 2.03 1.72 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 2.12 1.93 0.00 -5 N 9.47 4.53 0.00 2.72 2.82 0.00 0.00 7.01 7.78 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 -4 L 8.61 4.39 0.00 1.66 1.52 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 -3 Y 8.08 4.72 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 -2 F 8.28 4.73 0.00 2.98 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 -1 Q 8.76 3.34 0.00 1.51 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.93 0.00 0.00 0.00 0.00 0.00 2.02 1.26 0.00 0 G 7.56 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 0.00 0.00 0.00 -5 K 9.36 4.11 0.00 1.73 1.82 0.00 0.61 0.00 0.00 1.70 0.00 0.00 2.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.40 7.81 -4 I 8.45 4.22 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 1.41 0.70 0.91 0.00 0.00 -3 P 0.00 4.59 0.00 2.17 1.81 0.00 2.20 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 -2 K 8.27 4.43 0.00 1.68 1.56 0.00 0.61 0.00 0.00 1.82 0.00 0.00 2.13 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.51 7.81 -1 I 8.44 3.17 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 1.30 0.92 0.91 0.00 0.00 0 Y 7.35 4.27 0.00 2.98 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 8 V 8.74 4.51 1.67 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 0.25 0.00 0.00 0.37 0.00 0.00 9 E 8.28 4.54 0.00 2.05 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 2.37 2.16 0.00 10 G 9.20 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 11 E 7.93 4.18 0.00 1.98 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 2.39 2.18 0.00 12 L 7.01 2.44 0.00 1.66 1.52 0.92 0.97 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 13 N 7.57 4.73 0.00 2.74 2.75 0.00 0.00 6.13 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 14 D 8.67 4.70 0.00 2.72 2.59 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 15 G 8.19 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 16 D 8.41 4.74 0.00 2.71 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 17 R 8.81 5.75 0.00 1.53 1.38 0.00 3.05 0.00 0.00 3.28 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.48 0.00 18 V 7.72 4.50 1.20 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 0.17 0.00 0.00 0.09 0.00 0.00 19 A 8.54 4.47 0.56 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 0.00 0.00 20 I 8.68 4.40 1.73 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.92 0.59 0.00 0.00 21 E 9.03 4.76 0.00 1.82 1.83 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 2.28 2.23 0.00 22 K 9.24 3.99 0.00 1.80 1.80 0.00 1.94 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.35 0.98 7.81 23 D 9.26 4.77 0.00 2.84 2.63 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 0.00 24 G 8.62 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 25 N 7.60 4.54 0.00 2.82 2.86 0.00 0.00 6.63 7.89 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 26 A 8.10 4.64 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 27 I 8.32 4.41 1.63 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.46 0.27 0.00 0.00 28 I 8.10 4.24 1.66 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.62 0.84 0.00 0.00 29 F 8.52 4.46 0.00 2.89 2.92 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 30 L 8.44 4.45 0.00 1.47 1.55 0.52 0.88 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 31 E 8.86 4.21 0.00 1.89 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 2.31 1.87 0.00 32 K 8.95 3.88 0.00 1.76 1.79 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.04 7.81 33 D 8.07 4.87 0.00 2.68 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 34 E 8.32 4.20 0.00 1.96 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 2.26 2.12 0.00 35 E 8.52 4.39 0.00 1.98 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 2.23 1.86 0.00 36 Y 7.93 4.47 0.00 2.78 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 37 S 8.26 4.49 0.00 3.62 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 38 G 5.63 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 39 N 8.54 4.68 0.00 2.75 2.70 0.00 0.00 6.52 7.51 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 40 G 7.89 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 41 K 8.60 4.52 0.00 1.73 1.73 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.47 1.44 7.81 42 L 8.46 4.81 0.00 1.57 1.04 0.88 -0.03 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 43 L 8.45 4.97 0.00 1.63 1.62 0.90 0.80 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 44 Y 9.10 5.15 0.00 2.95 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 45 Q 8.93 4.53 0.00 1.37 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 46 V 7.98 4.67 2.17 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 0.82 0.00 0.00 1.01 0.00 0.00 47 I 8.31 3.78 2.03 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 1.31 0.48 0.93 0.00 0.00 48 Y 8.47 4.47 0.00 2.88 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 49 D 8.12 4.82 0.00 2.72 2.63 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 0.00 50 D 9.22 4.55 0.00 2.45 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 0.00 0.00 0.00 0.00 51 L 7.29 3.89 0.00 0.27 0.18 0.51 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 52 A 7.60 3.94 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 53 K 7.56 3.87 0.00 1.54 1.67 0.00 1.15 0.00 0.00 1.40 0.00 0.00 2.52 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.68 0.21 7.81 54 Y 7.00 4.42 0.00 3.07 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.73 4.35 0.00 3.88 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 57 L 8.42 3.53 0.00 1.83 0.93 0.92 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 58 D 9.03 4.81 0.00 3.04 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 59 T 7.52 5.05 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 1.27 0.00 0.00 60 L 8.67 4.30 0.00 1.59 1.74 0.87 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 61 K 9.05 4.59 0.00 1.75 1.91 0.00 1.56 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.44 7.81 62 K 7.67 4.76 0.00 1.58 1.63 0.00 1.88 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.34 1.47 7.81 63 D 9.38 4.69 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.93 5.18 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 1.00 0.00 0.00 0.86 0.00 0.00 65 L 8.74 5.47 0.00 1.79 1.55 0.65 1.06 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 66 I 9.41 5.32 2.18 0.00 0.00 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 1.30 0.82 0.70 0.00 0.00 67 Q 8.89 5.14 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.98 0.00 0.00 0.00 0.00 0.00 2.35 2.61 0.00 68 Y 9.55 4.44 0.00 3.23 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 69 P 0.00 4.53 0.00 2.04 2.03 0.00 3.84 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.93 0.00 70 D 8.18 4.40 0.00 2.79 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 71 K 8.64 4.05 0.00 1.96 1.98 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.33 1.60 7.81 72 H 8.97 4.76 0.00 3.00 3.29 0.00 5.83 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.04 4.67 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 0.37 0.00 0.00 74 L 8.23 5.56 0.00 1.95 1.80 1.02 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 75 T 9.60 4.79 4.66 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 1.57 0.00 0.00 76 Y 8.93 5.28 0.00 2.91 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 77 L 8.77 4.43 0.00 1.50 1.49 1.01 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 78 K 7.93 4.32 0.00 1.63 1.62 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.53 1.02 7.81 79 A 9.05 4.20 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 80 G 9.28 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 81 T 7.65 3.98 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 1.20 0.00 0.00 82 K 8.63 4.88 0.00 1.65 1.75 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.47 7.81 83 L 8.81 4.98 0.00 1.57 1.68 0.88 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.35 4.41 1.92 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 1.37 0.97 0.94 0.00 0.00 85 S 8.70 4.78 0.00 3.72 3.57 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 86 V 9.05 4.42 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 0.99 0.00 0.00 0.94 0.00 0.00 87 P 0.00 5.15 0.00 2.15 2.03 0.00 3.79 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 1.98 0.00 88 A 9.17 4.59 1.46 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 0.00 0.00 89 E 8.39 5.09 0.00 2.36 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 1.84 0.00 90 G 8.55 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 91 Y 9.08 4.34 0.00 2.90 3.27 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 92 K 8.34 4.47 0.00 1.70 1.15 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.08 0.99 7.81 93 V 8.06 4.48 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 1.04 0.00 0.00 94 Y 8.85 4.58 0.00 2.83 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 95 P 0.00 4.84 0.00 1.87 2.12 0.00 3.36 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.35 0.00 96 I 8.45 4.21 1.89 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 1.19 0.76 0.97 0.00 0.00 *98 D 7.81 4.31 0.00 2.33 2.42 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 99 F 8.73 4.19 0.00 3.11 2.97 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 0.00 100 G 7.90 3.52 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 0.00 101 F 8.08 4.51 0.00 3.20 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 0.00 102 R 8.60 4.75 0.00 1.84 1.95 0.00 3.00 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 103 V 8.95 4.51 2.17 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 0.84 0.00 0.00 0.91 0.00 0.00 104 L 6.40 4.70 0.00 0.59 1.25 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.44 4.18 0.00 1.64 1.68 0.00 1.85 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.53 7.81 106 G 9.21 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 7.96 4.44 0.00 2.96 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 0.00 108 R 8.32 4.55 0.00 1.74 1.76 0.00 3.00 0.00 0.00 2.79 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 109 L 9.09 4.21 0.00 1.20 0.15 0.52 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 110 A 7.60 5.08 1.28 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 0.00 0.00 0.00 111 T 8.76 4.99 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 0.00 112 L 8.75 5.25 0.00 1.50 1.50 0.92 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 0.00 113 E 9.25 5.17 0.00 2.21 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 2.32 2.30 0.00 114 S 8.71 4.92 0.00 4.00 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 0.00 115 K 8.02 2.91 0.00 0.82 1.45 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.04 7.81 116 K 7.68 3.96 0.00 1.72 1.81 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.36 7.81 117 G 8.08 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 118 D 8.08 4.57 0.00 2.73 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 0.00 119 L 8.24 5.08 0.00 1.43 1.27 0.98 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.43 4.51 0.00 1.55 1.65 0.00 3.04 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 121 Y 8.20 5.21 0.00 2.86 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 0.00 122 V 8.80 4.34 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 0.99 0.00 0.00 0.96 0.00 0.00 123 N 8.61 5.38 0.00 2.69 2.90 0.00 0.00 6.75 7.57 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 0.00 124 S 8.89 4.64 0.00 3.85 3.71 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 0.00 125 P 0.00 4.62 0.00 2.22 2.15 0.00 3.76 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 1.98 1.98 0.00 126 V 7.27 4.52 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 0.72 0.00 0.00 0.94 0.00 0.00 127 S 8.92 4.73 0.00 3.83 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 0.00 128 G 7.22 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 0.00 0.00 0.00 129 T 8.26 5.12 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 1.26 0.00 0.00 130 V 8.88 4.23 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 1.35 0.00 0.00 1.09 0.00 0.00 131 I 8.78 4.44 2.12 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 1.25 1.04 1.01 0.00 0.00 132 F 8.09 5.07 0.00 3.21 3.09 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 0.00 0.00 0.00 0.00 *134 N 8.38 4.61 0.00 2.63 2.85 0.00 0.00 6.52 7.65 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 0.00 135 E 8.08 3.80 0.00 1.64 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 1.88 1.47 0.00 136 I 8.20 4.30 1.77 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 1.14 0.96 0.85 0.00 0.00 137 P 0.00 4.15 0.00 1.90 1.98 0.00 3.89 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 138 S 8.31 4.45 0.00 3.72 3.78 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 0.00 139 E 9.02 4.00 0.00 2.03 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 2.23 1.87 0.00 140 R 7.52 4.68 0.00 1.57 1.75 0.00 3.23 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.18 0.00 141 A 8.29 4.25 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 0.00 142 N 8.51 5.29 0.00 2.77 2.53 0.00 0.00 6.98 7.56 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 0.00 143 Y 9.24 5.26 0.00 2.95 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 0.00 144 V 8.30 4.92 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 0.93 0.00 0.00 0.39 0.00 0.00 145 F 9.55 5.07 0.00 2.93 3.03 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 0.00 0.00 0.00 146 Y 9.13 5.51 0.00 3.10 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 *148 L 8.18 4.31 0.00 1.87 1.68 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 149 E 8.78 4.68 0.00 2.04 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 2.29 2.46 0.00 150 E 8.76 4.16 0.00 2.12 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 2.42 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.