NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4078 8.1814 115.4131 57.6578 64.3745 173.6031 18 G 3.9260 8.3813 106.1720 47.7897 0.0000 173.8774 19 L 3.9903 8.5840 123.9111 57.4178 42.6174 177.5409 20 E 4.0154 8.2928 121.1519 59.7708 29.2533 179.7109 21 D 4.4810 8.9955 123.6592 57.9007 40.0105 181.1786 22 K 4.0905 7.9480 120.4817 59.3095 32.0248 179.7169 23 V 3.5574 7.9098 118.7281 65.6323 31.2756 178.3006 24 S 3.6700 8.3264 116.9212 62.0200 62.8538 177.3416 25 K 4.0263 8.2678 128.1209 59.0612 30.8883 180.4827 26 Q 4.1384 7.8628 120.1522 59.4518 28.9770 178.6817 27 L 3.9452 8.0745 121.9998 58.1831 41.5854 179.4668 28 E 4.1883 8.4638 119.4753 60.7841 29.6251 183.0947 29 S 4.4294 8.7531 117.2455 60.4648 63.1376 175.6883 30 K 4.3413 7.4351 121.4828 53.6102 32.3194 181.5259 31 G 3.9105 8.6948 108.8750 48.7530 0.0000 175.1176 32 I 4.4469 8.3301 118.4617 58.0707 38.4461 178.0590 33 K 4.3727 8.7008 127.8848 52.5578 32.1646 172.9540 34 F 5.1120 7.9170 118.6039 53.9289 40.8762 173.9862 35 E 4.5640 8.9485 121.9094 55.2698 30.4431 176.1266 36 Y 4.6576 8.6467 126.5221 56.3852 37.4752 174.3658 37 E 3.7008 8.5372 129.3857 57.6816 26.1575 175.0819 38 E 4.5619 8.0329 113.0491 56.0037 30.5306 179.0184 *39 W 4.1492 7.5894 118.0787 56.9909 31.9767 176.9245 40 K 4.5424 8.8059 125.4752 51.6841 33.2863 172.6613 41 V 4.2777 8.1531 123.4290 59.6783 31.7911 173.6225 42 P 4.5524 0.0000 0.0000 62.6743 31.9150 175.4419 43 Y 4.8778 7.7918 118.2676 55.9151 40.8089 173.8887 44 V 4.2091 8.2894 119.6127 60.9891 33.8434 174.7505 45 I 4.3380 8.0843 127.5996 59.0856 37.6912 174.0852 46 P 4.3559 0.0000 0.0000 62.0761 31.8522 176.3424 47 A 4.2376 8.3441 123.4748 52.4297 18.9641 177.2936 48 S 4.7312 8.2177 113.4353 56.5029 66.1867 173.1414 49 N 4.8816 8.4788 119.3766 52.3131 39.8812 174.0208 50 H 5.0098 8.4181 118.1981 54.5654 33.2733 172.3403 51 T 4.7784 8.2344 108.9553 60.1575 71.5256 172.5967 52 Y 4.7783 8.4532 123.1811 56.1592 41.4349 175.1198 53 T 4.0363 8.0404 123.4853 60.6492 69.0205 172.2028 54 P 4.2770 0.0000 0.0000 61.5564 32.1479 176.7505 55 D 4.1813 8.9450 121.8919 56.8711 41.0008 177.0477 56 F 4.9915 8.5436 117.1658 55.3248 42.3787 173.8995 57 L 4.6358 8.4707 125.0091 53.0102 43.9125 176.2759 58 L 4.3704 8.6210 126.7397 53.4548 42.4686 176.4343 59 P 4.2298 0.0000 0.0000 65.5388 31.5639 177.2240 60 N 4.5586 8.1170 113.8264 52.8740 37.4877 176.3336 61 G 3.8333 8.2712 107.7846 45.0960 0.0000 173.5504 62 I 4.1341 7.5928 121.3786 60.4652 38.5790 175.0691 63 F 4.9870 9.2150 126.4564 56.5515 40.9145 174.9619 64 V 4.9855 9.4558 122.7024 61.1667 34.5019 173.5331 65 E 5.1585 9.4390 129.6509 54.7111 31.4398 174.8087 66 T 4.5857 9.1860 118.4140 61.2429 70.5803 174.3681 67 K 4.2138 9.0758 125.2169 56.9933 35.7626 174.2146 68 G 3.8502 9.2668 116.9491 46.1862 0.0000 174.7561 69 L 4.3439 9.0619 118.8259 54.5042 43.4923 175.5105 70 W 4.7967 8.9703 135.0000 55.0825 30.9721 175.1651 71 E 4.2533 8.2174 124.7156 54.7730 31.4025 176.8784 72 S 3.7597 8.4465 114.2146 62.1630 62.1243 176.2557 73 D 4.2605 7.8625 120.5647 57.0739 40.5405 178.1866 74 D 4.1808 7.6976 118.2034 57.3170 41.4647 178.2932 75 R 2.9929 7.2298 118.6020 58.8349 29.7733 179.1809 76 K 3.9062 8.0575 118.6246 59.1882 31.9500 179.1592 77 K 3.7745 8.0407 119.8998 59.9724 32.0783 178.4942 78 H 4.0119 8.1542 116.2916 58.8774 28.6146 177.8609 79 L 4.0740 7.9318 120.3403 57.6606 41.3696 179.5393 80 L 3.9770 8.1428 119.1597 57.9110 41.5852 179.6502 81 I 3.7837 7.9730 119.9054 64.2669 36.7550 178.4984 82 R 3.9819 7.8344 118.9979 59.3167 29.9734 177.9281 83 E 4.0718 7.8907 118.3779 59.2137 29.7726 178.3054 84 Q 4.1957 8.2955 117.0799 57.2953 30.5741 176.0694 85 H 4.9715 8.5541 117.0254 53.0573 29.3044 172.2572 86 P 4.3519 0.0000 0.0000 65.4318 31.6422 178.5165 87 E 4.1289 8.0647 117.2741 58.3238 29.7927 177.1284 88 L 4.1191 7.7449 119.1984 54.4856 42.2737 176.1520 89 D 4.8300 8.7113 122.3704 52.7037 42.8924 173.9709 90 I 5.0720 8.3164 126.0518 59.5153 39.5827 175.3613 91 R 4.8632 9.1458 125.7404 54.3244 34.1404 174.7047 92 I 4.8852 8.5057 120.7513 59.4991 40.8301 174.8991 93 V 4.7035 8.6435 126.5027 61.3703 33.4205 174.6634 94 F 5.4051 9.2062 127.7028 56.3865 40.6797 177.3749 95 S 4.2723 9.0982 116.3996 61.3142 64.5543 174.0639 96 S 4.6803 8.0212 115.4535 57.3417 63.1725 174.3689 97 S 3.7652 9.8920 126.5778 60.2945 63.1122 176.7160 98 R 4.0666 7.2361 117.7688 57.3254 29.7521 182.6012 99 T 3.6697 7.0463 114.0052 64.3595 68.8125 174.0178 100 K 4.3959 8.0020 124.8369 55.7669 32.9554 176.9673 101 L 4.2800 8.1562 123.1953 58.1954 41.8651 177.1973 102 Y 4.7246 6.7418 113.2113 55.2217 40.3291 173.3235 103 K 3.9241 8.7511 122.0798 58.6970 32.2511 176.7188 104 G 4.0364 8.9164 115.2579 45.2494 0.0000 173.4536 105 S 3.9985 7.3976 114.5625 57.5160 62.6218 172.1521 106 P 4.4637 0.0000 0.0000 63.6500 32.0942 175.8185 107 T 4.6136 7.5911 117.7450 62.4096 69.9515 174.4891 108 S 4.9663 8.8032 121.2594 57.0593 66.2513 175.0660 109 Y 4.5521 8.2635 120.6202 61.3810 37.3758 179.4861 110 G 2.7836 7.9753 106.6253 47.6067 0.0000 175.6520 111 E 4.0212 8.2567 121.1167 58.9240 29.4210 179.2186 112 F 4.1010 8.4967 120.8301 61.4768 39.4325 177.0173 113 C 4.3952 8.5984 116.5026 62.9829 27.8504 175.8211 114 E 4.1170 8.5298 120.4195 59.5158 28.8740 179.4127 115 K 3.8841 8.0567 118.3718 59.1344 32.2478 177.5727 116 H 4.7361 7.6606 113.5183 54.7394 28.8855 175.2220 117 G 3.8925 7.6761 108.4735 46.5084 0.0000 173.5660 118 I 4.4342 8.0481 121.1039 59.4903 38.3363 176.1577 119 K 4.5800 8.7040 127.2273 56.4839 33.2272 176.0313 120 F 5.8348 8.7222 117.6188 56.4255 41.5695 172.3455 121 A 4.5596 9.2972 120.0962 51.1652 23.0441 174.3970 122 D 5.2766 8.1083 116.8963 54.1359 43.7135 176.3306 123 K 4.3263 9.5892 128.3826 56.8801 31.3295 176.3290 124 L 4.7512 7.1594 114.4719 52.4474 45.6370 176.2141 125 I 3.4525 7.9727 122.0101 60.2957 37.8656 174.7103 126 P 4.0099 0.0000 0.0000 62.1346 31.9638 177.3050 127 A 3.9779 8.5061 123.7929 55.3346 18.0113 179.8694 128 E 3.9675 8.0732 115.8936 59.4596 29.8311 179.2383 129 W 4.7261 7.9519 119.9710 59.5274 28.9588 178.6709 130 I 3.8733 8.0419 120.4254 64.7020 36.6650 178.3306 131 K 4.2718 7.8864 121.9583 56.5310 32.5955 180.0207 132 E 4.3089 7.6468 119.1465 56.3649 30.0591 174.8949 133 P 4.3967 0.0000 0.0000 62.4015 31.8949 175.9806 134 K 4.2409 8.5917 122.5233 57.3079 32.4800 175.5148 135 K 4.7928 8.6227 124.6461 54.8045 36.2554 175.6834 136 E 4.1360 8.7822 120.6077 56.5262 30.0061 176.6803 137 V 4.0899 8.1637 124.0072 60.4604 33.5227 175.0765 138 P 4.6621 0.0000 0.0000 62.2310 29.3028 176.8734 139 F 4.4317 7.8183 121.9181 60.1964 39.5268 176.7894 140 D 4.7002 8.1279 118.9735 54.5145 39.5368 176.7428 141 R 4.5178 8.1188 117.5156 55.8665 31.3947 174.8561 142 L 4.8232 7.4770 117.5243 52.6320 44.6914 175.6035 143 K 4.6824 8.0818 117.6762 54.5086 35.6473 176.6419 144 R 4.1099 8.6078 125.2278 56.2315 30.8745 177.0851 145 K 4.1721 8.6145 124.4644 55.0217 31.6255 175.5405 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 17 S 8.18 4.41 0.00 4.03 4.22 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 18 G 8.38 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 19 L 8.58 3.99 0.00 1.76 1.67 0.90 0.91 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 20 E 8.29 4.02 0.00 2.31 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 2.40 2.36 0.00 21 D 9.00 4.48 0.00 2.53 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 22 K 7.95 4.09 0.00 1.92 1.86 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.64 7.81 23 V 7.91 3.56 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 0.90 0.00 0.00 0.90 0.00 0.00 24 S 8.33 3.67 0.00 4.12 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 25 K 8.27 4.03 0.00 1.77 1.86 0.00 1.82 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.32 7.81 26 Q 7.86 4.14 0.00 2.29 2.25 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 2.34 2.39 0.00 27 L 8.07 3.95 0.00 1.91 1.89 0.50 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.46 4.19 0.00 1.97 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 2.24 2.18 0.00 29 S 8.75 4.43 0.00 3.94 4.04 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 30 K 7.44 4.34 0.00 1.61 1.72 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.30 1.23 7.81 31 G 8.69 3.91 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 0.00 0.00 0.00 32 I 8.33 4.45 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 1.16 0.88 0.91 0.00 0.00 33 K 8.70 4.37 0.00 1.77 1.64 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.33 0.99 7.81 34 F 7.92 5.11 0.00 3.07 3.05 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 35 E 8.95 4.56 0.00 2.05 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 2.25 2.29 0.00 36 Y 8.65 4.66 0.00 3.23 3.08 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 37 E 8.54 3.70 0.00 1.89 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 1.75 1.47 0.00 38 E 8.03 4.56 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 2.17 1.86 0.00 *39 W 7.59 4.15 0.00 2.44 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 0.00 0.00 0.00 40 K 8.81 4.54 0.00 1.75 1.59 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.71 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.27 0.96 7.81 41 V 8.15 4.28 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 1.02 0.00 0.00 0.94 0.00 0.00 42 P 0.00 4.55 0.00 2.10 1.95 0.00 3.77 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 2.03 2.08 0.00 43 Y 7.79 4.88 0.00 3.01 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 44 V 8.29 4.21 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 0.85 0.00 0.00 0.91 0.00 0.00 45 I 8.08 4.34 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 1.58 0.75 0.94 0.00 0.00 46 P 0.00 4.36 0.00 2.05 2.00 0.00 3.72 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 47 A 8.34 4.24 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 48 S 8.22 4.73 0.00 3.90 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 49 N 8.48 4.88 0.00 2.67 2.76 0.00 0.00 6.73 8.16 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 50 H 8.42 5.01 0.00 3.05 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.23 4.78 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 52 Y 8.45 4.78 0.00 2.75 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 53 T 8.04 4.04 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 1.09 0.00 0.00 54 P 0.00 4.28 0.00 2.04 1.91 0.00 3.28 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.10 0.00 55 D 8.95 4.18 0.00 2.66 1.66 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 0.00 56 F 8.54 4.99 0.00 3.15 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 57 L 8.47 4.64 0.00 1.16 1.44 -0.18 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.62 4.37 0.00 1.89 1.64 0.93 0.92 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 59 P 0.00 4.23 0.00 2.03 2.12 0.00 3.66 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 60 N 8.12 4.56 0.00 2.96 3.03 0.00 0.00 6.47 6.92 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 61 G 8.27 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 0.00 0.00 0.00 62 I 7.59 4.13 1.82 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 1.27 0.56 0.77 0.00 0.00 63 F 9.22 4.99 0.00 3.19 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 64 V 9.46 4.99 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 1.28 0.00 0.00 1.18 0.00 0.00 65 E 9.44 5.16 0.00 2.29 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 2.29 2.21 0.00 66 T 9.19 4.59 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 1.43 0.00 0.00 67 K 9.08 4.21 0.00 1.48 1.13 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.79 1.48 7.81 68 G 9.27 3.85 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 0.00 0.00 0.00 69 L 9.06 4.34 0.00 1.73 1.70 1.08 0.96 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 70 W 8.97 4.80 0.00 2.71 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 0.00 0.00 0.00 71 E 8.22 4.25 0.00 2.00 1.80 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 2.43 2.40 0.00 72 S 8.45 3.76 0.00 3.77 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 73 D 7.86 4.26 0.00 2.64 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 74 D 7.70 4.18 0.00 2.63 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 75 R 7.23 2.99 0.00 1.22 0.73 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 K 8.06 3.91 0.00 1.81 1.78 0.00 1.58 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.45 7.81 77 K 8.04 3.77 0.00 1.76 1.87 0.00 1.35 0.00 0.00 1.48 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.04 1.32 7.81 78 H 8.15 4.01 0.00 3.66 3.55 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.93 4.07 0.00 1.85 1.70 0.78 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.14 3.98 0.00 1.82 1.69 0.88 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.97 3.78 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.60 0.96 0.00 0.00 82 R 7.83 3.98 0.00 1.97 2.15 0.00 3.33 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 83 E 7.89 4.07 0.00 2.13 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 0.00 2.31 2.48 0.00 84 Q 8.30 4.20 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.04 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 85 H 8.55 4.97 0.00 3.17 3.13 0.00 5.63 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.35 0.00 2.17 2.20 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 87 E 8.06 4.13 0.00 1.98 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 2.31 2.33 0.00 88 L 7.74 4.12 0.00 1.81 1.59 0.75 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.71 4.83 0.00 2.67 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 90 I 8.32 5.07 1.98 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 0.81 1.12 0.00 0.00 91 R 9.15 4.86 0.00 1.35 1.33 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.31 0.00 92 I 8.51 4.89 1.27 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.53 -0.58 0.00 0.00 93 V 8.64 4.70 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 1.04 0.00 0.00 0.94 0.00 0.00 94 F 9.21 5.41 0.00 3.20 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 95 S 9.10 4.27 0.00 4.00 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 0.00 96 S 8.02 4.68 0.00 3.84 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 97 S 9.89 3.77 0.00 3.78 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 R 7.24 4.07 0.00 1.95 1.87 0.00 3.28 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.47 0.00 99 T 7.05 3.67 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 0.81 0.00 0.00 100 K 8.00 4.40 0.00 1.57 1.58 0.00 1.78 0.00 0.00 1.55 0.00 0.00 3.02 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.35 7.81 101 L 8.16 4.28 0.00 1.25 1.76 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 6.74 4.72 0.00 3.14 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 0.00 103 K 8.75 3.92 0.00 1.77 1.88 0.00 1.64 0.00 0.00 1.73 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.55 7.81 104 G 8.92 4.04 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 0.00 0.00 0.00 105 S 7.40 4.00 0.00 2.72 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 P 0.00 4.46 0.00 2.18 2.11 0.00 3.69 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.96 0.00 107 T 7.59 4.61 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 1.29 0.00 0.00 108 S 8.80 4.97 0.00 4.02 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 0.00 109 Y 8.26 4.55 0.00 2.38 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 0.00 0.00 0.00 110 G 7.98 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.26 4.02 0.00 2.21 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 2.36 2.33 0.00 112 F 8.50 4.10 0.00 3.26 3.44 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 0.00 113 C 8.60 4.40 0.00 2.95 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.53 4.12 0.00 2.23 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 2.66 2.89 0.00 115 K 8.06 3.88 0.00 1.63 1.81 0.00 1.67 0.00 0.00 1.45 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.88 1.28 7.81 116 H 7.66 4.74 0.00 2.96 3.22 0.00 6.00 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.68 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 0.00 118 I 8.05 4.43 2.12 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.79 1.05 0.00 0.00 119 K 8.70 4.58 0.00 1.46 1.57 0.00 1.41 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.41 7.81 120 F 8.72 5.83 0.00 3.39 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 9.30 4.56 0.71 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 0.00 0.00 122 D 8.11 5.28 0.00 2.57 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 9.59 4.33 0.00 1.87 1.96 0.00 1.68 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.54 7.81 124 L 7.16 4.75 0.00 1.45 1.39 0.87 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 125 I 7.97 3.45 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.32 0.90 0.00 0.00 126 P 0.00 4.01 0.00 1.26 1.68 0.00 2.20 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.40 0.00 127 A 8.51 3.98 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 0.00 128 E 8.07 3.97 0.00 2.05 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 0.00 2.34 2.47 0.00 129 W 7.95 4.73 0.00 3.51 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 0.00 130 I 8.04 3.87 2.02 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 1.51 0.52 0.91 0.00 0.00 131 K 7.89 4.27 0.00 1.88 1.71 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.37 1.34 7.81 132 E 7.65 4.31 0.00 2.19 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 2.36 2.57 0.00 133 P 0.00 4.40 0.00 2.17 2.06 0.00 3.79 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 134 K 8.59 4.24 0.00 1.79 1.77 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.14 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.58 7.81 135 K 8.62 4.79 0.00 1.73 1.69 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.47 1.36 7.81 136 E 8.78 4.14 0.00 1.87 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 0.00 2.34 2.32 0.00 137 V 8.16 4.09 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 0.12 0.00 0.00 0.72 0.00 0.00 138 P 0.00 4.66 0.00 2.22 2.17 0.00 3.64 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 139 F 7.82 4.43 0.00 3.25 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 D 8.13 4.70 0.00 2.82 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 0.00 141 R 8.12 4.52 0.00 1.72 1.94 0.00 3.33 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 142 L 7.48 4.82 0.00 1.66 1.67 0.77 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 143 K 8.08 4.68 0.00 1.69 1.66 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.40 7.81 144 R 8.61 4.11 0.00 1.77 1.82 0.00 3.20 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 145 K 8.61 4.17 0.00 1.81 1.57 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.36 1.01 7.81 * Residues marked with a * may have inaccurate shift predictions.