NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.3479 8.0433 122.4980 53.8901 43.2867 178.0136 7 P 3.9143 0.0000 0.0000 65.0501 31.9390 175.4540 8 Y 4.4963 7.4763 115.6736 56.6840 41.5019 173.3947 9 E 4.4757 7.3224 126.4161 54.6546 31.1234 175.2004 10 F 3.9179 9.3185 126.3458 59.9599 39.5559 176.6474 11 F 4.7725 7.8167 118.4268 55.8795 38.0356 173.8491 12 S 4.7611 7.4188 118.2145 56.6116 65.7758 175.2453 13 E 4.5343 8.5906 117.4498 56.8643 29.0703 176.7673 14 E 4.4591 8.0010 118.8088 57.8231 31.9482 176.6046 15 N 4.4777 8.3678 115.5885 55.6574 39.3345 177.2285 16 A 3.9311 7.9237 120.3819 55.0824 18.1842 177.9657 17 P 4.1755 0.0000 0.0000 65.4004 31.4286 178.4053 18 K 3.9460 8.3572 116.3077 57.2834 32.1861 177.7117 19 W 4.8927 7.3906 116.9156 57.4566 30.8078 175.1868 20 R 3.9536 7.6698 119.0626 57.3263 29.0347 176.4424 21 G 3.9954 9.4349 110.6048 46.4430 0.0000 174.0746 22 L 4.1702 8.9706 123.3978 56.9539 42.2480 178.0123 23 L 4.5486 8.3512 117.8389 55.3843 42.5288 178.6481 24 V 3.6272 7.8977 118.4157 65.7930 31.1321 175.8365 25 P 4.2607 0.0000 0.0000 65.6680 31.4742 178.1459 26 A 4.1689 7.9337 118.8839 55.0971 18.4683 179.2523 27 L 3.9629 8.2716 117.9261 58.1203 41.4738 179.7978 28 K 3.8901 7.8060 117.0910 59.5182 32.2004 179.1613 29 K 4.1238 8.0663 118.4685 59.3844 32.0369 179.3629 30 V 3.5708 7.7203 117.9261 66.2373 31.4899 177.5771 31 Q 4.2162 8.9080 118.7639 58.1627 28.5899 177.7586 32 G 3.7760 7.9995 105.6324 47.1866 0.0000 175.4487 33 Q 4.2282 7.8935 119.3598 58.1767 29.0626 178.0719 34 V 3.9393 7.6046 118.1285 64.6580 32.5905 175.7038 35 H 4.8124 7.9550 116.1701 53.0828 30.0685 171.9720 36 P 4.3703 0.0000 0.0000 65.8178 31.7173 178.3521 37 T 4.0595 8.0485 112.9578 66.5633 68.5454 175.0845 38 L 4.1844 7.1440 120.3026 55.0616 42.4290 176.8929 39 E 4.5100 8.5669 123.8584 55.3174 31.4778 175.8828 40 S 4.5846 8.5381 120.7394 58.8525 64.5943 174.2861 41 N 4.5957 8.7869 118.0923 52.0477 39.6451 174.3559 42 D 4.4572 8.7432 126.2961 57.3328 40.8279 178.1241 43 D 4.3912 7.5619 115.7575 57.6015 41.3674 178.3718 44 A 4.1956 8.1747 120.6892 55.3679 18.5611 179.4276 45 L 3.9860 8.1094 116.8332 58.2553 41.6869 179.5869 46 Q 4.0705 8.3524 119.3155 58.9778 28.9528 177.4589 47 Y 4.3887 8.6680 121.3213 60.5335 38.8937 177.6029 48 V 3.2414 7.6553 118.7711 65.5938 31.6154 177.5101 49 E 3.9028 8.2531 119.2242 59.3831 29.5648 178.5011 50 E 4.0699 7.9858 118.4223 59.4351 29.5982 179.5717 51 L 3.8209 7.6114 118.7044 57.9731 41.7660 179.5157 52 I 3.7724 8.1319 119.9810 64.5232 37.0806 178.5461 53 L 3.6759 8.3758 120.1460 57.3519 41.1616 179.0132 54 Q 3.8672 7.5761 118.3660 58.0013 28.9903 177.5829 55 L 3.9675 7.2875 120.6251 58.0163 42.3428 177.8277 56 L 4.1679 7.4524 118.8885 58.1097 42.3249 179.4904 57 N 4.5772 7.7904 114.8912 53.9826 38.7280 176.0811 *59 L 4.4114 7.8966 118.2961 53.9448 43.9305 177.3618 60 C 4.4681 7.7279 115.4278 60.7745 29.1610 175.6482 61 Q 4.1434 8.2561 119.5553 58.8423 28.5890 176.6443 62 A 4.3222 8.0440 118.1120 51.2873 18.9458 177.3123 63 Q 3.1635 8.1977 113.5843 56.7056 26.2346 172.0018 64 P 4.4070 0.0000 0.0000 62.8177 32.3532 177.1023 65 R 4.5626 8.3446 116.5618 55.9603 33.0845 174.4556 66 S 4.6188 7.5737 111.6847 56.6471 66.9409 173.7548 67 A 4.0441 8.3439 122.4655 53.3421 18.8879 178.5859 68 S 4.2545 7.6113 109.6836 59.8125 63.4186 175.2168 69 D 4.5265 8.0171 121.0793 57.4710 40.3349 179.2723 70 V 3.5729 7.5367 118.0778 65.9859 31.7250 177.3608 71 E 3.9986 8.0083 118.6261 59.3193 29.3752 178.1740 72 E 3.8582 8.6398 119.4675 59.2742 29.7558 178.5515 73 R 3.8511 8.2378 118.9904 59.6389 29.6882 178.5300 74 V 3.4562 8.4333 118.3045 66.0134 31.2503 177.5598 75 Q 3.7465 8.4118 117.7607 57.9784 28.9453 177.0890 76 K 4.3675 7.7618 117.7290 57.3681 33.0969 176.8780 77 S 4.3965 8.5280 112.8295 57.1459 62.3218 173.7764 78 F 3.6268 6.8760 118.0465 55.6333 38.7944 174.6096 79 P 4.4083 0.0000 0.0000 62.2474 31.9018 175.3672 80 H 5.2865 8.3722 120.0553 55.5443 30.6070 174.3757 81 P 3.6929 0.0000 0.0000 64.6362 31.0611 178.2486 82 I 3.8192 7.3594 117.4648 64.2752 37.5869 177.1201 83 D 4.3653 8.0395 119.7553 56.5193 39.1398 178.7641 84 K 3.8986 7.7927 120.2218 58.4996 32.3194 179.1013 85 W 4.3687 7.9314 118.7986 59.8313 29.0193 178.3316 86 A 3.4135 8.4314 120.8602 55.0554 17.7333 179.8017 87 I 3.4100 7.6283 117.8976 64.3452 37.2236 178.1640 88 A 3.9361 8.1116 122.0930 55.4540 17.8696 179.2742 89 D 4.0465 7.3576 113.9371 57.3807 41.6635 177.6574 90 A 3.8147 7.5725 121.2170 55.2528 18.2440 179.6628 91 Q 4.1041 8.7188 116.6697 59.3892 28.7496 179.0680 92 S 4.2690 7.9346 113.5535 60.3893 62.8315 176.0853 93 A 4.3124 7.3843 123.2044 54.5983 19.1767 179.3771 94 I 3.8138 7.7595 109.2884 63.8658 37.6238 177.5690 95 E 3.9992 7.8458 119.2060 58.9600 29.3204 177.8741 *104 S 4.5296 7.8656 113.5900 58.1954 64.8808 174.5017 105 L 4.0222 8.6821 118.7016 54.8340 42.5928 176.5947 106 P 4.6438 0.0000 0.0000 62.3702 27.2716 177.5032 107 V 3.6983 7.7210 119.5084 65.4734 31.8729 178.1019 108 E 4.1779 8.1514 118.3679 59.0545 29.4337 179.0422 109 K 4.0390 8.0318 117.5825 58.9173 32.3730 178.4750 110 I 4.1552 7.8908 120.0182 63.3557 37.2712 176.9409 111 H 4.1594 8.0696 118.8051 59.4262 29.3800 175.2222 112 P 4.2910 0.0000 0.0000 65.5230 31.3840 178.2858 113 L 4.0731 7.7826 117.2920 57.6472 41.5673 179.0404 114 L 4.0650 8.2457 119.1407 58.2017 41.6452 179.8214 115 K 4.1614 7.7299 117.8424 58.5567 31.6816 178.4987 116 E 4.1022 8.1691 118.6580 58.2014 29.8423 178.1024 117 V 2.7029 7.5735 117.5510 64.3742 31.4962 176.3321 118 L 4.5337 8.0949 116.6265 54.6053 43.7217 177.3807 119 G 3.7993 8.8817 105.1399 45.5901 0.0000 172.2383 120 Y 4.7813 7.7359 117.2619 56.1871 41.5976 174.1452 121 K 4.8666 8.6680 118.6223 55.5942 34.3404 175.9951 122 I 4.7071 7.8906 121.1462 59.7426 41.4092 175.0785 123 D 4.6417 8.5039 123.8594 54.0757 41.5348 177.0453 124 H 4.1120 8.7746 120.7569 58.7876 29.6143 177.3548 125 Q 3.9496 7.9397 121.1571 59.2642 29.0238 177.7424 126 V 3.6256 7.7493 119.3199 65.8740 31.4901 178.2505 127 S 4.1132 7.9141 114.5094 61.7166 62.6650 176.6019 128 V 3.6097 7.4632 120.8501 66.0180 31.0365 177.5086 129 Y 3.9168 7.7784 119.1396 60.8962 38.7654 177.2684 130 I 3.6851 8.3851 121.0806 64.5624 37.1962 178.2433 131 V 3.6679 8.4324 118.8157 66.3094 31.2938 178.1851 132 A 3.9468 7.7817 120.0574 55.0773 18.3033 179.6556 133 V 3.4774 7.6502 116.7685 66.2212 31.7241 177.9865 134 L 4.0644 8.3555 119.0380 58.1357 41.5144 179.3524 135 E 4.1187 8.5312 120.5210 58.5697 29.5103 178.2201 136 Y 4.1387 8.1383 119.8492 60.9375 38.9781 178.2483 137 I 3.8855 7.9569 120.4423 64.1102 37.0246 178.8069 138 S 4.0260 7.9420 115.7885 61.6776 62.7418 176.5897 139 A 4.0788 8.5549 123.6437 54.8112 18.0269 179.3340 140 D 4.0362 8.2036 117.2169 57.4450 41.3561 178.3680 141 I 3.6293 7.9571 120.5738 64.5812 37.0855 178.4559 142 L 4.0138 8.1090 119.8595 57.5113 41.4951 179.5925 143 K 3.9062 8.0973 119.7071 59.3591 32.1632 178.6238 144 L 3.9326 7.9735 120.2588 58.1274 41.9848 178.5892 145 A 4.1269 8.1517 120.8462 55.2175 18.3175 179.6500 146 G 3.3456 8.3715 104.3404 48.0475 0.0000 175.4715 147 N 4.2989 7.8027 117.3363 56.0792 38.8905 176.3876 148 Y 4.2743 7.9657 120.7902 60.9148 38.8543 178.0978 149 V 3.2235 8.0054 119.0057 66.3384 31.4208 178.1997 150 R 3.7431 8.0732 116.6784 58.6489 29.8965 178.1558 151 N 4.4350 7.6821 116.8237 55.7009 39.1215 175.9306 152 I 4.0140 7.0593 111.5138 59.4817 39.4238 175.4913 153 R 3.6643 7.6008 119.3643 57.5716 25.3183 174.6822 154 H 4.7229 7.5012 115.8929 55.4472 31.8503 175.1420 155 Y 3.4887 8.2086 114.2306 58.1958 35.0816 168.0130 156 E 4.6665 7.6287 116.2221 55.5040 33.2336 175.2208 157 I 4.3436 7.9703 127.6385 60.3400 37.2788 175.5974 158 T 4.2999 9.7151 124.7746 62.3148 70.1225 175.8594 159 K 3.8873 8.8358 123.8863 59.9622 32.0143 178.8155 160 Q 3.9261 8.0439 117.5910 59.1075 28.6130 178.2586 161 D 4.5506 8.2100 119.1363 57.7180 40.7062 178.7128 162 I 3.6799 7.3155 117.9273 64.8477 37.2557 177.9982 163 K 3.9307 7.6281 116.8847 59.8027 31.9799 179.0343 164 V 3.5375 7.6381 118.3178 65.8133 31.2157 177.5618 165 A 3.8620 7.5446 119.1697 52.5777 18.2718 178.9320 *167 C 4.1878 8.0366 119.0401 61.4558 29.8946 176.0382 168 A 4.1076 7.3368 118.0678 53.1698 17.7948 176.4552 169 D 4.8333 7.5005 115.9363 52.0048 42.3179 175.9206 170 K 4.0588 8.7899 127.0374 59.6258 32.1113 178.5663 171 V 3.6016 7.7519 116.6125 66.5423 31.3569 178.6165 172 L 4.1587 9.1178 117.7188 55.3529 40.7896 177.3016 *174 D 4.2210 7.8920 115.8106 54.0921 42.1630 174.7844 *176 F 4.3921 7.8369 114.6461 57.9483 40.3674 175.2536 177 H 4.3518 8.5360 117.5839 56.8054 29.4576 174.1882 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 6 L 8.04 4.35 0.00 1.76 1.70 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 3.91 0.00 2.26 2.21 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 8 Y 7.48 4.50 0.00 2.69 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 9 E 7.32 4.48 0.00 1.96 1.65 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 2.33 2.40 0.00 10 F 9.32 3.92 0.00 3.14 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 11 F 7.82 4.77 0.00 3.08 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 12 S 7.42 4.76 0.00 3.98 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 0.00 13 E 8.59 4.53 0.00 1.99 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 2.34 2.32 0.00 14 E 8.00 4.46 0.00 1.86 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 2.28 0.00 15 N 8.37 4.48 0.00 2.77 3.01 0.00 0.00 6.91 7.54 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 16 A 7.92 3.93 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.18 0.00 1.99 2.12 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.19 0.00 18 K 8.36 3.95 0.00 1.29 1.19 0.00 1.52 0.00 0.00 1.49 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.27 1.32 7.81 19 W 7.39 4.89 0.00 3.10 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 20 R 7.67 3.95 0.00 1.95 2.04 0.00 3.64 0.00 0.00 3.68 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.93 0.00 21 G 9.43 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.97 4.17 0.00 1.67 2.00 0.92 0.83 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 23 L 8.35 4.55 0.00 1.83 1.76 1.03 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.90 3.63 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.06 0.00 0.00 25 P 0.00 4.26 0.00 2.09 2.14 0.00 3.86 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.20 0.00 26 A 7.93 4.17 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.27 3.96 0.00 1.85 1.77 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.81 3.89 0.00 1.93 1.91 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.78 7.81 29 K 8.07 4.12 0.00 2.06 1.87 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.61 7.81 30 V 7.72 3.57 2.25 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 1.05 0.00 0.00 1.00 0.00 0.00 31 Q 8.91 4.22 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 32 G 8.00 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 0.00 0.00 0.00 33 Q 7.89 4.23 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 34 V 7.60 3.94 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 0.65 0.00 0.00 0.93 0.00 0.00 35 H 7.95 4.81 0.00 3.15 3.12 0.00 5.68 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.37 0.00 2.05 2.13 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.30 0.00 37 T 8.05 4.06 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 1.36 0.00 0.00 38 L 7.14 4.18 0.00 1.68 1.62 0.77 0.78 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 39 E 8.57 4.51 0.00 2.07 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 2.29 2.31 0.00 40 S 8.54 4.58 0.00 3.82 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 41 N 8.79 4.60 0.00 2.71 2.80 0.00 0.00 6.84 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 D 8.74 4.46 0.00 2.75 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 43 D 7.56 4.39 0.00 2.76 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 44 A 8.17 4.20 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.11 3.99 0.00 1.74 1.80 0.95 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 46 Q 8.35 4.07 0.00 2.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.83 0.00 0.00 0.00 0.00 0.00 2.46 2.49 0.00 47 Y 8.67 4.39 0.00 2.96 3.18 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 48 V 7.66 3.24 2.20 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 0.74 0.00 0.00 0.97 0.00 0.00 49 E 8.25 3.90 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 50 E 7.99 4.07 0.00 2.16 1.86 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 2.12 2.68 0.00 51 L 7.61 3.82 0.00 1.53 1.31 -0.05 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.13 3.77 1.86 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.11 0.94 0.00 0.00 53 L 8.38 3.68 0.00 1.57 0.66 1.01 0.54 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 54 Q 7.58 3.87 0.00 2.15 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.98 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 55 L 7.29 3.97 0.00 1.64 1.83 0.71 0.83 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 56 L 7.45 4.17 0.00 1.68 1.76 1.01 1.17 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 57 N 7.79 4.58 0.00 3.08 2.93 0.00 0.00 7.20 6.40 0.00 0.00 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 L 7.90 4.41 0.00 1.90 1.81 1.02 1.14 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 60 C 7.73 4.47 0.00 3.21 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 61 Q 8.26 4.14 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.26 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 62 A 8.04 4.32 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 63 Q 8.20 3.16 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.81 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 64 P 0.00 4.41 0.00 2.02 1.96 0.00 3.60 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.10 0.00 65 R 8.34 4.56 0.00 1.65 1.80 0.00 3.03 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.63 0.00 66 S 7.57 4.62 0.00 3.94 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.34 4.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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2.35 2.37 0.00 76 K 7.76 4.37 0.00 1.95 1.85 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.66 7.81 77 S 8.53 4.40 0.00 3.94 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 78 F 6.88 3.63 0.00 2.90 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 79 P 0.00 4.41 0.00 2.12 1.93 0.00 3.51 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.02 0.00 80 H 8.37 5.29 0.00 2.99 3.16 0.00 5.74 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 3.69 0.00 0.49 0.88 0.00 3.25 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 82 I 7.36 3.82 1.87 0.00 0.00 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 1.85 1.88 1.02 0.00 0.00 83 D 8.04 4.37 0.00 2.92 3.19 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 0.00 84 K 7.79 3.90 0.00 1.73 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0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 126 V 7.75 3.63 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 0.94 0.00 0.00 0.93 0.00 0.00 127 S 7.91 4.11 0.00 3.77 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 0.00 128 V 7.46 3.61 2.21 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 1.00 0.00 0.00 0.86 0.00 0.00 129 Y 7.78 3.92 0.00 3.18 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 0.00 130 I 8.39 3.69 1.94 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 1.52 0.73 0.98 0.00 0.00 131 V 8.43 3.67 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 1.14 0.00 0.00 1.01 0.00 0.00 132 A 7.78 3.95 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 0.00 133 V 7.65 3.48 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.86 0.79 0.00 0.00 142 L 8.11 4.01 0.00 1.73 1.74 0.93 1.39 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 0.00 143 K 8.10 3.91 0.00 1.97 1.92 0.00 1.56 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.39 7.81 144 L 7.97 3.93 0.00 1.81 1.79 0.94 0.99 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 0.00 145 A 8.15 4.13 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 0.00 146 G 8.37 3.35 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 0.00 147 N 7.80 4.30 0.00 2.97 2.92 0.00 0.00 7.02 6.83 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 0.00 148 Y 7.97 4.27 0.00 3.02 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 0.00 149 V 8.01 3.22 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 0.00 150 R 8.07 3.74 0.00 1.68 1.83 0.00 3.14 0.00 0.00 3.06 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.59 0.00 151 N 7.68 4.43 0.00 2.78 2.91 0.00 0.00 7.14 7.38 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 0.00 152 I 7.06 4.01 1.66 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.43 0.49 0.00 0.00 153 R 7.60 3.66 0.00 2.04 2.12 0.00 3.24 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 154 H 7.50 4.72 0.00 3.10 3.31 0.00 5.93 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 Y 8.21 3.49 0.00 3.21 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 0.00 156 E 7.63 4.67 0.00 1.97 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 2.27 2.31 0.00 157 I 7.97 4.34 1.90 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 1.23 0.74 0.95 0.00 0.00 158 T 9.72 4.30 4.39 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 1.25 0.00 0.00 159 K 8.84 3.89 0.00 1.88 1.79 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.28 0.00 0.00 2.20 0.00 0.00 0.00 0.00 1.20 1.34 7.81 160 Q 8.04 3.93 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.62 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 161 D 8.21 4.55 0.00 2.95 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 0.00 162 I 7.32 3.68 2.15 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.68 0.94 0.00 0.00 163 K 7.63 3.93 0.00 1.84 1.76 0.00 1.54 0.00 0.00 1.45 0.00 0.00 2.39 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.33 1.46 7.81 164 V 7.64 3.54 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 0.40 0.00 0.00 0.89 0.00 0.00 165 A 7.54 3.86 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 *167 C 8.04 4.19 0.00 3.08 2.96 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 0.00 168 A 7.34 4.11 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 0.00 169 D 7.50 4.83 0.00 2.61 2.55 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 0.00 170 K 8.79 4.06 0.00 1.78 1.85 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.44 1.43 7.81 171 V 7.75 3.60 2.24 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 0.76 0.00 0.00 0.89 0.00 0.00 172 L 9.12 4.16 0.00 1.72 1.73 0.97 0.28 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 *174 D 7.89 4.22 0.00 2.67 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 *176 F 7.84 4.39 0.00 2.94 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 0.00 177 H 8.54 4.35 0.00 3.10 3.11 0.00 5.73 0.00 0.00 0.00 0.00 6.91 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.