NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1301 8.4449 118.7882 56.2173 30.5256 175.9696 *4 T 3.9288 8.2226 113.0455 62.8629 70.1464 172.2741 5 K 5.0538 8.5927 126.5492 54.7950 34.5245 175.3143 6 V 4.7895 9.0695 120.6776 59.9844 35.0510 174.9722 7 T 5.4459 7.6786 118.8543 60.9189 72.3763 173.1240 8 G 3.8904 7.1402 109.6761 45.8018 0.0000 172.3078 9 K 4.5602 8.2168 119.1783 55.7663 33.6051 176.4173 10 F 5.5671 8.3985 116.8587 55.5707 41.3561 173.4047 11 D 5.1279 9.0111 119.6354 52.4975 44.2100 175.5075 12 V 4.9427 8.2319 119.9922 59.7975 34.8332 174.4214 13 K 4.5386 9.1709 124.8363 54.6402 34.6322 174.3990 14 L 5.1284 8.5734 127.2564 53.4498 43.5040 175.7839 15 T 4.5319 8.5032 121.8680 60.9259 69.9157 173.1112 16 P 4.4361 0.0000 0.0000 62.9449 32.1104 175.3921 17 E 4.7884 8.8890 122.1366 54.2552 34.0249 174.8429 18 N 4.4869 8.6682 119.1427 52.6605 39.0932 174.4044 19 A 4.2475 8.4284 129.4263 51.9106 19.3709 176.3211 20 Y 4.1667 8.9484 123.7908 60.3109 39.0606 176.5044 21 A 4.4088 7.7838 120.0577 51.0599 20.6167 175.9084 22 T 4.5663 8.0049 115.8410 61.3949 70.8839 175.1354 23 G 4.0484 8.4192 114.5120 45.0502 0.0000 172.7700 24 V 4.4390 7.6047 113.5104 60.0782 35.6905 175.6115 25 G 3.6159 9.3961 106.4557 46.8028 0.0000 175.1851 26 G 3.9311 8.4667 108.1722 44.4679 0.0000 174.6619 27 V 3.8598 7.6247 120.8544 62.7819 32.5244 174.3821 28 N 5.2620 8.7654 124.2575 51.5434 41.1465 173.2851 29 L 4.9345 8.6520 123.7682 53.2615 43.9818 176.1072 30 G 4.3192 9.0550 108.6548 44.6960 0.0000 171.0460 31 R 4.9958 8.2537 119.6475 54.0888 34.6866 173.4058 *33 A 4.4936 8.2862 121.5130 51.7023 20.4770 175.4003 34 L 5.0668 8.9735 121.0067 52.9860 45.0578 175.4164 35 D 5.2837 8.9796 122.6616 52.5912 44.2937 174.9215 36 K 5.0605 9.1311 122.7247 54.7357 36.6879 175.3964 37 T 4.8362 8.3871 118.3819 61.8447 72.0208 173.0315 38 F 5.3236 9.1140 125.1304 56.0717 41.5727 174.4800 39 Y 4.9989 9.3270 119.2829 56.5249 41.1936 176.3939 40 G 4.2788 9.2651 106.7345 44.4548 0.0000 175.5590 41 E 4.1972 9.3245 120.4907 58.4636 30.7397 175.4995 42 L 4.8844 8.4909 121.8743 53.5952 43.0321 176.0282 43 E 4.8308 8.9581 129.6187 55.1234 31.1441 174.3161 44 A 4.8115 8.4625 127.4390 51.3951 23.5145 174.6639 45 R 5.2326 8.7575 117.8580 54.6231 34.1171 175.3836 46 S 5.6351 8.9552 114.7991 56.3998 67.0249 172.8217 47 Q 4.9161 8.2025 118.9332 54.6147 32.9650 175.0596 48 G 4.3718 8.0470 106.9604 47.4809 0.0000 170.0524 49 E 4.5653 7.8623 119.2407 55.2302 34.2873 174.0823 *51 L 4.6953 8.4211 118.6680 55.6012 43.4802 176.3463 52 S 5.2920 8.9991 116.1016 56.7785 67.0858 172.5201 53 A 5.5936 9.0476 122.3106 49.3453 23.2012 174.6740 *55 T 4.3547 8.2491 107.9362 61.5769 69.6082 173.7156 56 A 4.1191 8.4486 122.2773 53.2207 18.8421 177.2632 57 V 4.2373 7.6397 117.3709 60.2529 32.6831 175.2226 58 K 3.9437 8.6506 126.7008 58.5883 32.3388 177.1481 59 G 3.9323 9.2288 110.9208 45.3275 0.0000 172.3587 60 S 4.8045 7.5804 115.4384 56.6671 64.8212 173.0872 61 A 4.6049 8.1290 125.3190 51.4621 22.0638 174.9067 62 G 4.3235 9.0438 105.6549 45.0521 0.0000 171.4834 63 Y 5.4594 8.7469 118.7374 55.5999 41.8784 174.0956 64 V 5.0652 8.7347 112.1887 59.1405 36.1012 174.6017 65 A 4.8010 8.1004 121.1668 51.4588 22.7750 175.3103 66 I 5.2195 8.4479 119.7894 59.5342 41.4156 174.5254 67 E 5.0068 9.1722 123.9766 54.5582 33.4733 174.1558 68 Q 4.6112 8.9470 124.1607 54.9466 30.7556 174.2101 69 V 4.4783 8.3353 127.3360 61.2810 33.7455 174.7079 70 V 4.6218 9.2904 126.8770 59.8533 34.7129 174.8207 71 G 4.1741 7.4334 114.9451 46.2324 0.0000 170.9366 72 K 5.0095 8.5734 121.5898 54.3402 35.3647 174.8638 73 L 4.9474 8.7409 124.7820 54.3142 43.8822 176.2162 74 C 4.1985 10.1707 126.6107 60.9491 26.2466 174.5645 75 G 4.0208 8.4820 106.6240 45.2826 0.0000 173.7115 76 R 4.6171 7.6605 119.7101 54.6049 31.7275 174.9517 77 Q 4.6402 9.1801 125.0002 55.8774 30.4623 174.8416 78 G 4.5526 9.0229 112.9540 46.5603 0.0000 171.9236 79 S 5.2416 8.3424 114.6048 57.4261 67.2233 172.8281 80 F 5.3290 8.0645 114.2849 57.1832 41.7033 172.5481 81 V 4.7465 8.7640 119.3011 61.1877 33.7781 174.1476 82 L 5.1700 8.6429 127.3118 53.1161 44.4469 175.1423 83 Q 5.0586 8.8771 123.6646 54.7236 32.2625 173.5317 84 H 5.4659 9.4214 123.7599 54.1193 32.1846 173.4890 85 F 4.7767 9.3026 124.4521 56.7532 42.6382 173.2721 86 G 4.2653 8.4673 113.9254 44.4363 0.0000 171.3577 87 I 4.9401 8.2212 124.2569 59.4891 41.9797 174.5024 *89 T 4.3066 8.1715 117.7962 65.1331 69.2022 174.1051 90 D 4.5402 9.9704 123.0885 55.2730 38.5096 174.9337 91 G 3.8384 8.5896 106.9043 45.1978 0.0000 173.8795 92 Q 4.3713 7.7460 121.2479 54.0592 29.1925 174.3113 93 N 4.5907 8.8495 127.4833 53.8615 39.8499 174.7735 94 R 4.6053 9.1358 127.0600 55.4136 31.2251 171.4898 95 L 5.1253 8.5962 127.2074 52.5902 44.3255 174.7585 96 H 4.9059 9.4196 126.9326 54.4796 31.9227 173.1734 97 L 5.0688 8.1524 127.2291 53.4958 45.1562 174.4630 98 E 4.7962 8.8039 123.8279 54.1406 33.5964 175.0013 99 V 4.2627 8.3173 121.9295 62.7444 32.4874 175.8812 100 V 3.8097 8.6785 128.7002 61.9229 32.4498 173.7025 101 P 4.3707 0.0000 0.0000 64.6806 31.5994 175.9731 102 H 4.2393 8.8485 117.8582 56.4501 26.0874 175.8729 103 S 4.3539 8.2357 115.6467 59.8176 63.4803 174.6854 104 G 3.8001 8.0754 111.5426 45.6300 0.0000 172.3662 105 A 4.7263 8.7484 126.1692 50.6925 23.9083 177.6108 106 G 3.7940 8.2337 107.8489 47.3504 0.0000 176.4762 107 E 4.2707 9.4069 124.0268 57.4367 29.7608 176.9693 108 L 4.9875 7.9453 119.0843 54.6287 41.9625 176.2790 109 T 4.2730 7.0082 115.3916 64.8166 68.8817 174.7500 110 G 4.0505 9.0911 113.0851 45.0868 0.0000 172.5842 111 L 3.6356 7.5501 122.0493 55.0281 42.6184 175.6532 112 Y 4.6341 8.7414 127.1385 55.3481 42.1686 174.4736 113 G 4.1155 6.7689 112.2646 46.5629 0.0000 171.4326 114 T 5.3097 7.9283 109.2463 58.6863 72.4837 172.5629 *116 A 4.5723 8.3817 120.9164 52.4186 20.4616 175.9082 117 I 5.3456 8.4709 119.4081 59.7289 40.5401 175.0128 118 S 5.0063 9.5845 120.7746 56.8492 67.1727 172.3149 119 I 5.2405 8.1580 118.4798 59.7827 40.9955 173.7601 120 E 4.5065 9.4959 129.3346 55.8726 32.6342 174.6229 121 N 4.1829 10.0152 125.0339 54.7215 37.4138 174.7375 122 G 3.8647 8.3563 103.1701 45.2483 0.0000 173.1324 123 Q 4.3613 8.0777 122.1722 54.1378 30.7917 174.2210 124 H 4.8384 8.0820 122.3622 55.7752 30.1251 174.2883 125 F 5.4300 9.5104 120.7586 55.8583 43.2122 173.4436 126 Y 5.5390 9.2659 120.6046 55.6495 40.8084 174.5742 127 E 5.0145 9.3906 121.0054 54.9063 32.4344 175.2093 128 F 5.3658 9.9612 128.6259 56.7231 42.1342 174.1252 129 S 5.2504 9.0543 123.8131 56.9975 64.3089 173.5669 130 F 5.2140 8.4361 119.8461 55.9018 41.4390 173.1295 131 C 4.6804 8.6894 112.8253 57.7839 32.8982 172.2217 132 F 5.2586 8.6791 116.1199 55.9976 41.7988 175.3090 133 E 4.4924 9.2375 122.6647 54.8131 30.5641 175.0152 134 P 4.3025 0.0000 0.0000 62.6162 32.0833 176.3363 135 A 4.1834 8.5392 123.2831 52.5739 18.3066 177.1521 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 E 8.44 4.13 0.00 2.02 1.70 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 2.14 2.37 0.00 *4 T 8.22 3.93 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 1.06 0.00 0.00 5 K 8.59 5.05 0.00 1.71 1.67 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.52 7.81 6 V 9.07 4.79 2.38 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 0.94 0.00 0.00 1.47 0.00 0.00 7 T 7.68 5.45 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 1.31 0.00 0.00 8 G 7.14 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.22 4.56 0.00 1.74 1.46 0.00 1.44 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.59 1.29 7.81 10 F 8.40 5.57 0.00 2.55 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 11 D 9.01 5.13 0.00 2.66 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 12 V 8.23 4.94 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 0.70 0.00 0.00 0.91 0.00 0.00 13 K 9.17 4.54 0.00 1.77 1.65 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.36 7.81 14 L 8.57 5.13 0.00 1.51 1.53 0.85 0.83 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 15 T 8.50 4.53 4.23 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 1.20 0.00 0.00 16 P 0.00 4.44 0.00 1.92 1.98 0.00 3.61 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 17 E 8.89 4.79 0.00 1.89 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 2.22 2.41 0.00 18 N 8.67 4.49 0.00 2.69 2.76 0.00 0.00 6.93 7.96 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 19 A 8.43 4.25 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 20 Y 8.95 4.17 0.00 2.88 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 21 A 7.78 4.41 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 22 T 8.00 4.57 4.19 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 1.18 0.00 0.00 23 G 8.42 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 24 V 7.60 4.44 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 0.83 0.00 0.00 0.93 0.00 0.00 25 G 9.40 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.47 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 V 7.62 3.86 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.96 0.00 0.00 28 N 8.77 5.26 0.00 2.72 2.68 0.00 0.00 7.04 6.74 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 29 L 8.65 4.93 0.00 1.52 1.59 0.96 0.88 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 30 G 9.06 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 0.00 0.00 0.00 0.00 31 R 8.25 5.00 0.00 1.87 1.76 0.00 3.38 0.00 0.00 3.36 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 *33 A 8.29 4.49 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 34 L 8.97 5.07 0.00 1.58 1.51 0.87 0.87 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 35 D 8.98 5.28 0.00 2.53 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.13 5.06 0.00 1.48 1.21 0.00 1.42 0.00 0.00 1.22 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.29 7.81 37 T 8.39 4.84 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 0.59 0.00 0.00 38 F 9.11 5.32 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 39 Y 9.33 5.00 0.00 3.08 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 40 G 9.27 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 0.00 0.00 0.00 0.00 41 E 9.32 4.20 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.43 0.00 42 L 8.49 4.88 0.00 1.50 1.17 0.82 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 43 E 8.96 4.83 0.00 2.32 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 2.21 2.30 0.00 44 A 8.46 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.76 5.23 0.00 1.68 1.74 0.00 3.05 0.00 0.00 3.18 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 46 S 8.96 5.64 0.00 3.85 3.90 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 47 Q 8.20 4.92 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 48 G 8.05 4.37 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 0.00 49 E 7.86 4.57 0.00 1.87 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 2.28 2.31 0.00 *51 L 8.42 4.70 0.00 1.66 1.66 0.94 0.70 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 52 S 9.00 5.29 0.00 3.87 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 53 A 9.05 5.59 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *55 T 8.25 4.35 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 1.23 0.00 0.00 56 A 8.45 4.12 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 57 V 7.64 4.24 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 0.98 0.00 0.00 0.93 0.00 0.00 58 K 8.65 3.94 0.00 1.78 1.77 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.41 7.81 59 G 9.23 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 S 7.58 4.80 0.00 4.01 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 A 8.13 4.60 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 G 9.04 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 0.00 0.00 0.00 0.00 63 Y 8.75 5.46 0.00 3.04 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 64 V 8.73 5.07 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 0.96 0.00 0.00 0.95 0.00 0.00 65 A 8.10 4.80 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 66 I 8.45 5.22 1.88 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 1.31 1.07 0.91 0.00 0.00 67 E 9.17 5.01 0.00 1.95 1.97 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 2.36 2.17 0.00 68 Q 8.95 4.61 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.83 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 69 V 8.34 4.48 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 0.14 0.00 0.00 0.41 0.00 0.00 70 V 9.29 4.62 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 0.92 0.00 0.00 0.83 0.00 0.00 71 G 7.43 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 8.57 5.01 0.00 1.75 1.70 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.47 7.81 73 L 8.74 4.95 0.00 1.63 1.47 0.83 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 74 C 10.17 4.20 0.00 3.23 3.07 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 75 G 8.48 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.66 4.62 0.00 2.08 1.88 0.00 3.06 0.00 0.00 3.07 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 77 Q 9.18 4.64 0.00 2.18 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 78 G 9.02 4.55 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 0.00 0.00 0.00 79 S 8.34 5.24 0.00 3.85 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 80 F 8.06 5.33 0.00 3.03 3.10 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 81 V 8.76 4.75 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 1.00 0.00 0.00 0.91 0.00 0.00 82 L 8.64 5.17 0.00 1.59 1.46 0.71 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.88 5.06 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 84 H 9.42 5.47 0.00 3.08 3.05 0.00 5.65 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 85 F 9.30 4.78 0.00 2.94 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 86 G 8.47 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.22 4.94 1.91 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 0.81 1.05 0.92 0.00 0.00 *89 T 8.17 4.31 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 90 D 9.97 4.54 0.00 2.81 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 91 G 8.59 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 92 Q 7.75 4.37 0.00 2.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 93 N 8.85 4.59 0.00 2.79 2.80 0.00 0.00 7.01 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 94 R 9.14 4.61 0.00 1.49 1.81 0.00 3.27 0.00 0.00 3.09 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.42 0.00 95 L 8.60 5.13 0.00 1.73 1.66 1.02 1.19 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 96 H 9.42 4.91 0.00 3.30 3.22 0.00 5.78 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 L 8.15 5.07 0.00 1.68 1.39 0.53 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 98 E 8.80 4.80 0.00 1.98 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 2.14 2.17 0.00 99 V 8.32 4.26 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 0.72 0.00 0.00 0.75 0.00 0.00 100 V 8.68 3.81 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 0.90 0.00 0.00 0.98 0.00 0.00 101 P 0.00 4.37 0.00 2.10 1.96 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.15 0.00 102 H 8.85 4.24 0.00 3.32 3.45 0.00 5.89 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 8.24 4.35 0.00 4.06 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.08 3.80 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 0.00 0.00 0.00 105 A 8.75 4.73 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 0.00 106 G 8.23 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 9.41 4.27 0.00 2.13 2.01 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 2.35 2.38 0.00 108 L 7.95 4.99 0.00 2.00 1.77 1.13 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 109 T 7.01 4.27 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 1.28 0.00 0.00 110 G 9.09 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 0.00 111 L 7.55 3.64 0.00 1.51 1.36 0.07 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.74 4.63 0.00 3.08 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 0.00 113 G 6.77 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 0.00 0.00 0.00 114 T 7.93 5.31 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 *116 A 8.38 4.57 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.47 5.35 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.17 1.31 0.00 0.00 118 S 9.58 5.01 0.00 3.88 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 0.00 119 I 8.16 5.24 1.85 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 1.20 0.89 0.94 0.00 0.00 120 E 9.50 4.51 0.00 1.82 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 2.17 2.16 0.00 121 N 10.02 4.18 0.00 2.81 2.83 0.00 0.00 7.24 7.98 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 0.00 122 G 8.36 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 0.00 0.00 0.00 123 Q 8.08 4.36 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.95 0.00 0.00 0.00 0.00 0.00 1.82 1.48 0.00 124 H 8.08 4.84 0.00 2.28 1.86 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.51 5.43 0.00 2.97 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 0.00 126 Y 9.27 5.54 0.00 3.18 3.33 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 0.00 127 E 9.39 5.01 0.00 1.96 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 0.00 2.30 2.34 0.00 128 F 9.96 5.37 0.00 3.09 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 0.00 129 S 9.05 5.25 0.00 3.82 3.73 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 0.00 130 F 8.44 5.21 0.00 2.44 1.56 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 0.00 131 C 8.69 4.68 0.00 2.96 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 0.00 132 F 8.68 5.26 0.00 2.89 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 0.00 133 E 9.24 4.49 0.00 1.85 1.88 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 2.54 2.40 0.00 134 P 0.00 4.30 0.00 2.18 2.06 0.00 3.76 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 1.95 0.00 135 A 8.54 4.18 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 * Residues marked with a * may have inaccurate shift predictions.