NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 P 4.3642 0.0000 0.0000 62.1633 33.4461 176.6315 10 L 4.1579 8.0079 119.3962 50.9023 42.7199 174.9120 11 P 4.5145 0.0000 0.0000 62.5223 34.4697 176.7557 12 Q 4.0566 8.8532 120.4431 59.7276 28.8376 179.2868 13 S 4.1985 8.1091 114.7040 61.4173 63.0319 176.2013 14 F 4.2504 8.2534 123.8115 61.0060 39.2755 177.1247 15 L 3.9994 8.1922 118.7163 57.5299 41.3842 179.5225 16 L 3.9861 8.0723 119.0692 57.8121 41.7438 179.5240 17 K 4.0016 8.1504 119.4794 59.5967 31.9937 178.6533 18 C 4.2506 8.2751 117.6806 62.4158 27.9846 175.7955 19 L 3.3733 7.8444 121.9639 58.1017 41.5933 178.9236 20 E 3.9235 8.0838 118.4622 59.5900 29.3887 179.4811 21 Q 4.0130 8.0681 117.8573 58.8739 28.8094 178.2889 22 M 3.4513 8.1956 119.7068 58.5829 32.3002 178.5719 23 R 3.8768 7.8895 117.8119 58.3693 30.0348 179.0898 24 K 3.8564 7.6272 120.1179 59.3884 32.3065 178.9250 25 V 3.4821 7.4855 118.4771 66.2363 31.3860 178.0364 26 Q 3.9088 8.0885 117.4633 58.7952 28.5007 178.5994 27 A 3.9642 7.9869 121.9163 55.0932 18.2732 179.3674 28 D 4.3866 8.4292 117.9406 57.4946 40.8761 179.3120 29 G 3.6282 8.1579 106.1967 47.9905 0.0000 175.9742 30 T 3.8372 8.0833 117.9647 66.1546 68.4180 176.4437 31 A 3.9497 7.9382 122.7201 55.1829 18.4173 179.4401 32 L 3.8430 7.6066 118.4131 58.4348 42.2025 179.1398 33 Q 3.9718 8.1168 117.9241 59.0555 28.6609 178.7275 34 E 3.9518 8.4934 119.8871 59.7396 29.4223 179.6099 35 T 3.8818 8.0758 115.7927 66.6898 68.4491 176.8456 36 L 4.0293 8.0133 120.8857 57.5750 41.4699 178.8637 37 C 4.3946 8.2063 118.4803 59.6242 43.4341 175.4522 38 A 3.9184 7.8655 121.2609 55.2929 18.0653 179.1982 39 T 4.1411 7.9723 106.9706 63.6588 69.2409 175.3181 40 H 4.7815 8.1926 115.6433 54.3623 30.1344 173.6509 41 Q 3.7263 8.2327 117.3366 56.9444 26.6486 174.8256 42 L 4.4848 7.1849 119.6550 53.6229 40.1744 175.6594 43 C 4.6430 8.2165 117.7206 56.5719 39.1836 173.6956 44 H 4.8297 7.6929 116.5788 52.7331 30.3708 172.1603 45 P 4.3564 0.0000 0.0000 66.2682 30.8987 179.0494 46 E 4.0350 8.2356 115.7580 60.9991 29.6226 181.3807 47 E 4.4024 8.1658 116.1235 58.4791 29.7418 177.9993 48 L 4.5482 7.9315 117.9740 55.0744 42.4965 178.6341 49 V 3.6553 7.8314 112.9475 64.5094 31.5823 177.8386 50 L 3.6871 7.8467 119.3552 58.0159 41.9914 178.6752 51 L 4.1293 7.8173 120.3786 57.8944 41.9221 179.1168 52 G 3.7064 7.9511 105.7487 48.0520 0.0000 175.4117 53 H 4.2112 8.1755 117.9115 58.7234 28.6846 177.7182 54 A 4.1055 7.7274 120.2873 54.6655 18.2182 179.2006 55 L 4.1138 8.2949 117.4421 55.3963 41.8985 177.3346 56 G 3.6708 8.0174 106.1939 46.2933 0.0000 173.6150 57 I 4.0407 7.7563 121.5663 59.4784 37.2825 174.8305 58 P 4.3485 0.0000 0.0000 62.1079 31.9047 176.2376 59 Q 4.4109 8.1410 121.6548 53.3664 29.5816 173.4226 60 P 4.3658 0.0000 0.0000 61.7546 32.0218 175.0763 61 P 4.7412 0.0000 0.0000 62.7669 32.5771 175.6513 62 L 5.1040 8.1122 117.7954 54.4315 43.1597 179.1604 63 S 4.1730 8.4185 116.7351 61.9623 63.3590 176.7680 64 S 4.6992 9.0297 114.0744 59.1655 62.7380 174.4464 65 C 4.8137 7.9999 117.2601 56.5885 38.4296 173.1953 66 S 4.6479 8.2894 118.6457 58.5558 62.9703 176.9220 67 S 3.7982 8.1577 126.7861 61.6924 63.3466 172.9550 68 Q 4.1620 8.0975 118.2536 57.8241 28.5384 179.8034 69 A 4.4902 7.7745 121.8433 51.9058 19.0615 177.6147 70 L 4.3907 7.9500 121.5946 56.2204 41.5142 176.9707 71 Q 4.5160 8.6384 125.1547 53.3064 31.4858 175.4797 72 L 3.2986 8.4910 127.2337 58.4261 41.8917 178.5454 73 M 4.0082 7.8328 117.5429 58.4328 32.1554 178.1970 74 G 3.5770 7.9438 105.4438 47.8277 0.0000 175.9169 75 C 4.2929 8.5016 121.4913 59.5459 44.5819 175.5995 76 L 4.0068 7.9821 120.5002 57.7759 41.1488 179.6431 77 R 3.9241 8.2308 118.7086 59.5560 30.0505 178.6891 78 Q 4.0825 8.4997 118.2305 58.8389 28.7762 178.3391 79 L 4.1418 8.4746 121.8016 58.5927 42.1663 178.5920 80 H 4.3522 8.6708 118.5022 59.3568 29.8499 177.3752 81 S 4.3986 8.4465 116.3954 61.3539 62.7124 176.5933 82 G 3.6914 8.5839 109.4156 47.8087 0.0000 175.7292 83 L 4.3320 8.4805 121.6053 57.3359 41.7289 179.3387 84 F 4.7944 8.2462 122.1797 60.1363 39.1801 177.2506 85 L 3.6447 7.9559 120.2942 58.3550 41.9298 178.4903 86 Y 4.0496 7.7045 116.7681 61.2124 37.5927 178.7769 87 Q 4.1100 8.6177 119.5714 58.8655 28.7328 179.1556 88 G 3.4171 7.6379 106.5790 47.4544 0.0000 175.9044 89 L 4.0557 8.0959 121.5490 57.7363 41.4903 179.4937 90 L 3.9892 7.8545 117.5819 57.8620 41.8968 179.2116 91 Q 4.0600 7.9385 119.3659 59.1113 28.8127 178.0231 92 A 4.1153 7.9218 120.7807 55.1733 18.6857 179.3658 93 L 3.7013 8.2650 116.9481 55.3040 41.8137 177.1201 94 A 3.7417 8.7453 120.3593 53.1670 16.4063 178.2091 95 G 3.8262 8.2580 107.5260 45.5670 0.0000 174.0839 96 I 3.3886 7.8628 123.5116 61.4480 36.3805 173.7041 97 S 4.6255 7.0872 111.2361 56.5167 65.4716 173.5464 98 P 4.2265 0.0000 0.0000 65.4294 31.1578 177.8996 99 E 4.1796 8.0571 114.6910 58.1246 30.4053 178.0248 100 L 4.2553 8.0217 119.4547 56.3910 41.8222 178.5440 101 A 4.0018 7.8293 120.7812 54.6861 18.2733 177.4960 102 P 4.1716 0.0000 0.0000 66.1733 31.4125 178.9075 103 T 3.8773 7.7949 113.9946 66.5196 68.4366 176.4198 104 L 4.0022 7.8317 121.7897 58.0313 42.0767 178.6935 105 D 4.3890 8.3918 119.1589 57.1703 40.6374 178.9410 106 T 3.8195 7.7640 116.1408 66.4330 68.4400 176.1762 107 L 4.1131 7.7810 123.6436 57.6106 41.9921 178.9233 108 Q 3.9381 8.1732 119.0390 59.1248 28.9835 178.1257 109 L 3.9947 7.8814 119.9534 58.1324 41.7396 179.3943 110 D 4.4082 8.3019 118.7901 57.6180 40.7306 179.0168 111 T 4.0654 8.2834 116.5975 66.7831 68.4169 177.0336 112 T 4.0648 8.0353 117.9987 66.4045 68.4789 176.3797 113 D 4.3942 8.4086 120.2503 57.2949 41.2457 178.1701 114 F 4.1565 8.2771 120.5106 61.2993 39.4629 176.9483 115 A 4.1430 8.3361 120.4669 55.2444 18.0578 179.7415 116 I 3.7696 7.9350 118.3680 64.5235 37.3392 178.0818 117 N 4.3685 8.2385 117.8935 56.9241 38.7976 176.9765 118 I 3.9245 7.7093 121.2036 64.0876 37.1449 178.3064 119 W 3.9456 8.4612 129.3364 60.4517 30.5588 177.9128 120 Q 4.0199 8.5311 118.3125 59.2304 28.1829 179.0002 121 Q 3.7425 7.9816 119.9031 59.3497 29.0480 178.1280 122 M 3.8528 7.7693 119.7443 57.9373 31.7723 178.3976 123 E 3.4533 7.7400 119.5196 59.3580 29.6185 178.6815 124 D 4.2875 7.6950 117.2790 56.8882 40.8935 177.8673 125 L 4.3000 7.4893 116.8699 53.7736 41.9110 176.7825 126 G 3.7904 8.0622 107.2784 47.2384 0.0000 174.4747 127 M 4.4241 8.2285 116.9585 54.2488 33.3098 176.5181 128 A 3.8108 7.3492 122.1063 50.6709 19.0941 175.7300 129 P 4.4096 0.0000 0.0000 63.0841 31.9781 176.0088 130 A 4.5010 8.3016 119.9248 52.6058 19.2083 176.3430 *137 T 4.0997 7.5465 114.0011 64.6819 69.6458 173.1246 138 M 4.3982 8.0592 121.7395 53.2226 33.3330 174.9804 139 P 4.0285 0.0000 0.0000 62.6563 31.9071 175.5739 140 A 4.1176 7.9827 122.9980 51.2188 19.2571 177.3841 141 F 4.6349 8.5215 123.2476 56.4536 38.5450 175.6665 142 T 4.2796 9.0301 116.7844 62.0976 69.6604 175.3373 143 S 4.8497 7.8543 116.3896 55.9716 67.3742 174.4263 144 A 4.0306 8.3977 122.5516 54.8770 17.9459 179.5147 145 F 4.1436 8.2116 118.9434 61.7063 39.4772 177.1776 146 Q 3.7122 8.2189 117.5785 59.0254 28.4253 179.1468 147 R 3.4615 7.9498 119.0480 59.0851 30.0179 179.3909 148 R 3.7774 7.8869 117.7317 58.9039 30.0785 178.9467 149 A 3.8658 7.7951 121.0411 54.9065 18.2904 179.8117 150 G 3.4585 8.0790 104.7232 47.8695 0.0000 175.9917 151 G 3.5020 8.0640 108.5809 47.5531 0.0000 175.8717 152 V 3.6848 7.6126 120.4272 65.2159 31.4478 178.3200 153 L 3.9463 7.9660 118.9650 57.6260 41.4497 179.3316 154 V 3.6622 7.8966 118.0041 66.2461 31.3142 178.0159 155 A 3.8587 7.7686 119.8112 55.0409 17.9718 179.5652 156 S 4.0451 8.0497 111.8502 61.2570 62.3928 176.2322 157 N 4.3322 8.4762 119.6082 56.4376 38.4727 177.1325 158 L 3.4180 7.7034 120.5261 58.1369 41.4460 179.8764 159 Q 3.9930 7.8390 117.8468 58.4586 28.5507 178.5288 160 S 4.2902 7.7360 114.7708 60.4419 63.5787 176.0123 161 F 4.1537 8.4177 124.4767 61.4939 39.0892 177.2952 162 L 3.9360 7.9955 118.1941 57.5558 41.3750 179.0669 163 E 3.9701 7.8955 119.2347 59.2780 29.4893 178.8006 164 L 3.9533 8.3362 119.1174 57.7912 41.7349 179.4139 165 A 3.9829 7.8706 120.5121 55.4520 18.3430 179.1149 166 Y 4.1961 8.3791 120.5277 61.4845 38.6125 178.9358 167 R 3.8367 7.9745 120.6521 61.0266 29.6786 181.0039 168 A 4.2003 7.7106 120.3111 55.4192 18.5267 179.3696 169 L 4.2023 8.0387 117.3090 58.5647 41.5928 180.0737 170 R 3.8285 7.4990 116.3867 59.5445 29.9465 178.2978 171 H 4.1955 8.3171 115.4542 57.3588 29.1351 175.5141 172 F 4.7058 8.0166 119.7243 57.3492 39.4450 175.8533 *173 A 4.1726 7.9376 128.4411 52.5549 18.6724 177.2786 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 9 P 0.00 4.36 0.00 2.13 2.22 0.00 3.94 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 10 L 8.01 4.16 0.00 1.88 1.79 1.16 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 11 P 0.00 4.51 0.00 2.32 2.20 0.00 3.62 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 2.15 2.01 0.00 12 Q 8.85 4.06 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.97 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 13 S 8.11 4.20 0.00 4.15 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 14 F 8.25 4.25 0.00 3.14 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.19 4.00 0.00 1.92 1.80 1.15 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 16 L 8.07 3.99 0.00 2.01 1.73 0.95 0.44 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 17 K 8.15 4.00 0.00 1.93 1.89 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.10 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.50 7.81 18 C 8.28 4.25 0.00 3.07 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 19 L 7.84 3.37 0.00 1.73 1.80 0.63 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.08 3.92 0.00 2.05 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 2.29 2.46 0.00 21 Q 8.07 4.01 0.00 2.43 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.44 2.58 0.00 22 M 8.20 3.45 0.00 1.74 1.75 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 23 R 7.89 3.88 0.00 1.77 1.87 0.00 3.25 0.00 0.00 2.95 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 24 K 7.63 3.86 0.00 1.93 1.91 0.00 1.63 0.00 0.00 1.56 0.00 0.00 3.23 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.41 7.81 25 V 7.49 3.48 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 0.82 0.00 0.00 0.81 0.00 0.00 26 Q 8.09 3.91 0.00 2.18 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.47 0.00 0.00 0.00 0.00 0.00 2.27 2.41 0.00 27 A 7.99 3.96 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 28 D 8.43 4.39 0.00 2.80 2.69 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 29 G 8.16 3.63 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 0.00 0.00 0.00 30 T 8.08 3.84 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 1.18 0.00 0.00 31 A 7.94 3.95 1.34 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 32 L 7.61 3.84 0.00 1.68 1.80 0.87 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 33 Q 8.12 3.97 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 34 E 8.49 3.95 0.00 2.20 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 2.31 2.43 0.00 35 T 8.08 3.88 4.36 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 1.20 0.00 0.00 36 L 8.01 4.03 0.00 1.87 1.71 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 37 C 8.21 4.39 0.00 3.13 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 38 A 7.87 3.92 1.36 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 0.00 0.00 39 T 7.97 4.14 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 1.25 0.00 0.00 40 H 8.19 4.78 0.00 3.41 3.33 0.00 5.96 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 Q 8.23 3.73 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.70 7.14 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 42 L 7.18 4.48 0.00 1.77 1.64 0.92 0.95 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 43 C 8.22 4.64 0.00 2.65 2.95 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 44 H 7.69 4.83 0.00 3.24 3.22 0.00 5.83 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.36 0.00 2.17 2.12 0.00 3.63 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 46 E 8.24 4.03 0.00 2.06 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 2.23 1.98 0.00 47 E 8.17 4.40 0.00 2.16 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 2.37 2.38 0.00 48 L 7.93 4.55 0.00 1.80 1.70 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.83 3.66 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 0.98 0.00 0.00 1.04 0.00 0.00 50 L 7.85 3.69 0.00 1.72 1.64 0.86 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.82 4.13 0.00 1.84 1.93 1.06 1.16 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 52 G 7.95 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 0.00 0.00 0.00 53 H 8.18 4.21 0.00 3.24 3.34 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.73 4.11 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 55 L 8.29 4.11 0.00 1.84 1.71 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.02 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 0.00 0.00 0.00 57 I 7.76 4.04 2.04 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.69 0.96 0.00 0.00 58 P 0.00 4.35 0.00 1.91 1.90 0.00 3.49 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 1.90 1.99 0.00 59 Q 8.14 4.41 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 60 P 0.00 4.37 0.00 2.10 1.87 0.00 3.66 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 1.33 1.54 0.00 61 P 0.00 4.74 0.00 2.24 2.10 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 62 L 8.11 5.10 0.00 1.74 1.65 0.63 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.42 4.17 0.00 3.92 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 64 S 9.03 4.70 0.00 3.96 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 65 C 8.00 4.81 0.00 3.10 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 66 S 8.29 4.65 0.00 3.89 3.74 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 67 S 8.16 3.80 0.00 3.69 3.70 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 68 Q 8.10 4.16 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.67 0.00 0.00 0.00 0.00 0.00 2.28 1.92 0.00 69 A 7.77 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 70 L 7.95 4.39 0.00 1.69 1.87 0.54 0.93 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 71 Q 8.64 4.52 0.00 2.15 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 72 L 8.49 3.30 0.00 0.87 1.21 0.61 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 73 M 7.83 4.01 0.00 2.05 1.93 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 74 G 7.94 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 C 8.50 4.29 0.00 3.32 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 76 L 7.98 4.01 0.00 1.87 1.68 0.99 0.56 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 77 R 8.23 3.92 0.00 1.99 2.17 0.00 3.11 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 78 Q 8.50 4.08 0.00 2.41 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.62 0.00 0.00 0.00 0.00 0.00 2.46 2.54 0.00 79 L 8.47 4.14 0.00 1.76 2.02 1.08 1.07 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 80 H 8.67 4.35 0.00 3.43 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.45 4.40 0.00 4.22 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 82 G 8.58 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 0.00 0.00 0.00 83 L 8.48 4.33 0.00 2.11 1.98 1.27 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.25 4.79 0.00 3.15 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 85 L 7.96 3.64 0.00 1.75 1.46 0.79 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 86 Y 7.70 4.05 0.00 3.16 2.93 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 87 Q 8.62 4.11 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.88 0.00 0.00 0.00 0.00 0.00 2.43 2.64 0.00 88 G 7.64 3.42 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 0.00 0.00 0.00 89 L 8.10 4.06 0.00 1.91 1.80 0.82 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.85 3.99 0.00 1.61 1.73 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 91 Q 7.94 4.06 0.00 2.20 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 92 A 7.92 4.12 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 0.00 0.00 93 L 8.26 3.70 0.00 1.73 1.53 0.74 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.75 3.74 1.34 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 95 G 8.26 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 96 I 7.86 3.39 1.80 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.34 0.81 0.00 0.00 97 S 7.09 4.63 0.00 4.02 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 98 P 0.00 4.23 0.00 2.06 2.15 0.00 3.67 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 2.07 0.00 99 E 8.06 4.18 0.00 2.07 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 0.00 2.27 2.27 0.00 100 L 8.02 4.26 0.00 1.89 1.81 0.90 0.98 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 0.00 101 A 7.83 4.00 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 0.00 102 P 0.00 4.17 0.00 2.15 2.11 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 103 T 7.79 3.88 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.31 0.00 0.00 112 T 8.04 4.06 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 113 D 8.41 4.39 0.00 3.01 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.28 4.16 0.00 3.26 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 0.00 115 A 8.34 4.14 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 0.00 0.00 0.00 0.00 0.00 116 I 7.94 3.77 2.12 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 1.45 0.80 0.98 0.00 0.00 117 N 8.24 4.37 0.00 2.83 2.91 0.00 0.00 7.47 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 7.71 3.92 1.96 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 1.11 0.60 1.02 0.00 0.00 119 W 8.46 3.95 0.00 3.42 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 Q 8.53 4.02 0.00 2.21 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 121 Q 7.98 3.74 0.00 1.83 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.48 0.00 0.00 0.00 0.00 0.00 1.16 1.89 0.00 122 M 7.77 3.85 0.00 1.78 1.76 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.40 0.00 123 E 7.74 3.45 0.00 1.66 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.20 0.00 124 D 7.70 4.29 0.00 2.69 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 0.00 125 L 7.49 4.30 0.00 1.46 1.54 0.69 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.06 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 0.00 127 M 8.23 4.42 0.00 1.78 1.98 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.32 0.00 128 A 7.35 3.81 0.44 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 0.00 129 P 0.00 4.41 0.00 2.26 2.12 0.00 3.75 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 2.26 2.12 0.00 130 A 8.30 4.50 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 *137 T 7.55 4.10 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 1.17 0.00 0.00 138 M 8.06 4.40 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.39 0.00 139 P 0.00 4.03 0.00 1.13 2.02 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 140 A 7.98 4.12 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 0.00 141 F 8.52 4.63 0.00 3.07 2.93 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 0.00 142 T 9.03 4.28 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 1.21 0.00 0.00 143 S 7.85 4.85 0.00 4.11 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 0.00 144 A 8.40 4.03 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 0.00 145 F 8.21 4.14 0.00 3.12 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 0.00 146 Q 8.22 3.71 0.00 2.47 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 147 R 7.95 3.46 0.00 1.97 1.81 0.00 3.30 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.64 0.00 148 R 7.89 3.78 0.00 2.02 1.84 0.00 3.06 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 149 A 7.80 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.08 3.46 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 0.00 151 G 8.06 3.50 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 0.00 0.00 0.00 152 V 7.61 3.68 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 1.00 0.00 0.00 0.93 0.00 0.00 153 L 7.97 3.95 0.00 1.76 1.73 1.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 154 V 7.90 3.66 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 1.17 0.00 0.00 1.03 0.00 0.00 155 A 7.77 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.05 4.05 0.00 3.99 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 0.00 157 N 8.48 4.33 0.00 3.07 3.01 0.00 0.00 7.03 7.11 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 0.00 158 L 7.70 3.42 0.00 1.46 1.45 0.69 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 159 Q 7.84 3.99 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 160 S 7.74 4.29 0.00 4.20 4.14 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 0.00 161 F 8.42 4.15 0.00 3.31 3.34 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 0.00 162 L 8.00 3.94 0.00 1.91 1.58 1.07 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 163 E 7.90 3.97 0.00 2.24 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 0.00 2.33 2.44 0.00 164 L 8.34 3.95 0.00 1.81 1.70 0.97 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.87 3.98 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 0.00 166 Y 8.38 4.20 0.00 3.09 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 0.00 167 R 7.97 3.84 0.00 1.97 1.84 0.00 3.32 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 168 A 7.71 4.20 1.48 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 0.00 0.00 169 L 8.04 4.20 0.00 1.96 1.86 1.15 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 170 R 7.50 3.83 0.00 1.73 1.78 0.00 3.08 0.00 0.00 2.83 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.30 0.00 171 H 8.32 4.20 0.00 2.33 2.89 0.00 5.84 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 F 8.02 4.71 0.00 3.12 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 *173 A 7.94 4.17 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 * Residues marked with a * may have inaccurate shift predictions.