NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.7037 8.1627 120.6227 55.5653 33.6830 172.7578 5 R 4.9608 9.3258 126.5592 53.8258 32.9939 173.5914 6 G 4.5148 9.1520 113.7940 44.8253 0.0000 171.3304 7 L 5.0840 8.5007 120.2924 53.1156 45.6876 174.6333 8 L 5.2475 9.0113 127.5423 53.2317 45.5327 175.0468 9 V 4.9580 7.7332 125.1395 61.3487 34.3106 174.7109 10 G 4.2087 8.6814 112.1342 45.7571 0.0000 174.6124 11 R 4.3044 8.9096 120.3885 57.1994 31.3241 176.8960 12 M 3.2609 8.0386 116.2673 57.1224 29.3867 177.5425 13 Q 5.0014 7.7536 116.8793 53.6641 28.9535 173.4417 14 P 5.3072 0.0000 0.0000 59.7987 33.9792 175.7664 15 F 4.2945 8.6491 120.6899 58.7203 39.1698 174.5633 16 H 4.6391 7.8760 124.6286 53.8112 31.9114 175.6248 17 R 3.5849 8.1176 119.5095 59.1412 29.5661 179.5651 18 G 3.3557 6.8218 104.5579 47.7377 0.0000 175.4078 19 A 3.9360 7.6313 122.8920 54.5113 18.3754 179.3612 20 L 3.9386 7.1409 118.7435 58.2731 42.1658 179.0555 21 Q 3.9272 8.0884 118.5271 59.0443 28.6218 179.3544 22 V 3.6789 7.7686 121.3775 64.3527 31.2635 178.3223 23 I 3.5811 7.8683 120.4060 63.9713 36.7041 178.5567 24 K 3.9611 7.7986 118.4333 59.4377 31.6884 179.2011 25 S 4.3860 8.0511 114.5301 61.5836 62.8068 176.6182 26 I 3.4478 7.8441 123.6048 63.8310 36.6082 177.8383 27 L 4.2187 7.7206 116.5597 56.1348 41.4033 178.2885 28 E 4.2943 7.9453 119.3252 57.3812 29.8529 176.6880 29 E 4.6309 8.0175 114.2474 55.9367 30.6266 175.9929 30 V 4.6526 7.3046 111.5601 59.7523 35.8310 175.1575 31 D 4.6224 8.9557 122.7048 57.1703 41.1926 176.6748 32 E 5.0977 8.2018 115.7251 54.4017 34.6268 174.3673 33 L 5.2704 9.1143 123.2922 53.5279 45.5895 175.1294 34 I 4.7506 8.8170 127.5158 60.4215 38.9982 174.7776 35 I 4.6391 9.1452 129.1773 59.8991 38.9193 174.3819 36 C 4.9012 9.0888 126.6206 58.7910 29.8849 173.4438 37 I 4.4042 8.5467 125.7526 59.9760 37.3624 175.9849 38 G 4.0906 9.0639 115.4880 45.3193 0.0000 171.5904 39 S 4.2420 9.1627 111.8927 58.0346 60.4395 174.4692 40 A 4.1919 8.1062 122.7045 54.3701 18.4716 179.1628 41 Q 4.3179 7.9633 112.1515 56.6707 29.6126 175.8086 42 L 4.4881 7.5512 119.7221 53.8453 42.7171 175.8037 43 S 4.5753 8.5193 115.5587 58.1668 65.6085 173.1311 44 H 3.9076 8.2024 115.4620 56.8148 26.4330 174.5000 45 S 4.7476 7.4852 110.2313 56.1823 66.4770 174.1984 46 I 3.7227 8.2971 121.0902 64.1742 36.8713 177.7145 47 R 4.2180 7.8009 118.5281 57.7566 30.9302 175.9970 48 D 4.7846 7.9072 117.2788 51.7717 41.7652 173.9884 49 P 3.9230 0.0000 0.0000 64.4287 31.9841 176.7958 50 F 5.2804 7.6400 115.7417 55.8414 40.7523 176.4921 51 T 4.2207 8.7840 114.9634 61.1955 70.6580 175.7302 52 A 4.1055 8.5901 123.4133 55.4018 18.5402 180.1530 53 G 3.6001 8.1266 103.6803 48.1070 0.0000 175.5698 54 E 4.0238 8.2262 120.7713 59.2729 29.3997 179.7099 55 R 3.9099 8.0554 118.1145 58.9408 30.0083 179.1367 56 V 3.5167 7.9638 118.4855 66.2811 31.4277 178.0588 57 M 4.0437 7.9371 118.0770 58.5635 31.8362 178.5746 58 M 4.0191 8.0289 118.7931 58.3490 32.0467 178.9105 59 L 3.2656 7.8652 118.9894 57.8338 41.7999 179.4013 60 T 3.8785 7.9922 115.9256 66.7955 68.4278 176.6947 61 K 3.9579 8.2274 119.8664 59.4257 32.1253 179.3353 62 A 4.6010 7.8345 122.1625 54.7152 18.3474 179.7439 63 L 3.8808 8.1330 117.7671 57.8861 41.7096 179.5557 64 S 4.1291 8.1070 113.0196 61.7017 62.1501 176.2006 65 E 4.0852 8.4424 119.9438 58.9122 29.1330 178.0125 66 N 4.8111 7.7860 114.8867 52.7353 38.8333 176.2501 67 G 3.9191 8.0277 108.3452 45.5330 0.0000 174.2261 68 I 3.9851 7.4139 121.1224 59.9288 37.6387 174.3593 69 P 4.3063 0.0000 0.0000 62.3417 31.9385 177.4745 70 A 3.3445 8.5400 125.0995 54.9059 18.4348 179.4148 71 S 4.0410 7.6717 108.3693 59.9892 63.3888 174.9784 72 R 4.2329 7.6920 120.3976 57.1101 30.3029 174.8641 73 Y 5.3624 6.5599 114.7524 56.1044 41.7447 173.6617 74 Y 4.7618 9.2183 116.7504 56.2563 41.8118 174.8701 75 I 4.9056 8.6842 124.3792 59.8014 39.3262 175.2605 76 I 4.5419 8.4834 128.3052 58.6663 40.3267 173.4426 77 P 4.8721 0.0000 0.0000 62.4014 32.3286 176.2540 78 V 4.4405 8.8918 124.1213 61.0183 34.0845 175.0525 79 Q 4.7539 8.9159 126.7748 55.9685 29.3177 175.8908 80 D 4.8628 9.6794 122.4006 53.8166 41.9815 175.6346 81 I 4.6740 7.7196 112.5693 58.9810 40.6943 175.4498 82 E 3.9338 8.8244 120.9775 59.0656 29.7330 176.9628 83 C 4.4802 7.8411 117.2205 58.2447 28.1568 173.6998 84 N 4.3413 8.7997 123.8223 56.3322 37.8744 177.0723 85 A 4.1412 8.0796 120.5494 54.0883 18.7221 178.2938 86 L 4.5343 7.8787 115.8246 54.4834 42.4200 178.1770 87 W 4.1992 8.0968 129.9886 60.4469 30.5414 177.9138 88 V 2.9047 7.7584 117.9084 65.6854 30.9583 178.1523 89 G 3.5303 7.9183 105.0243 47.7428 0.0000 174.9488 90 H 4.1211 8.0639 120.0385 59.2782 30.3097 177.1372 91 I 3.5970 7.4363 121.5356 64.1406 36.8771 178.4797 92 K 4.0602 8.1669 119.5101 59.8910 31.7170 179.0614 93 M 4.0726 8.0248 116.9312 57.8420 32.1836 177.1730 94 L 4.5246 7.4152 116.3541 53.8147 42.5497 175.6405 95 T 4.6263 6.9359 107.8356 58.6787 71.8394 171.6274 96 P 4.4690 0.0000 0.0000 61.0807 32.0952 174.7654 97 P 4.3382 0.0000 0.0000 62.6572 31.7607 176.1665 98 F 5.1774 7.4399 114.8633 55.5031 41.0061 173.8341 99 D 4.9099 9.5284 121.4823 55.4356 42.5907 177.1058 100 R 4.8253 8.0322 115.2183 54.2460 35.0683 174.3977 101 V 4.5215 8.1916 120.8944 61.2153 34.4415 173.7099 102 Y 5.1627 8.7893 125.5649 56.5206 40.3371 174.7112 103 S 4.7227 8.9647 116.9094 57.7231 66.3982 175.5709 104 G 4.0006 8.8779 112.1697 45.1170 0.0000 173.2111 105 N 4.5787 8.2642 119.9571 52.0239 39.5397 173.1470 106 P 4.4916 0.0000 0.0000 64.9402 31.4363 178.1160 107 L 3.8883 7.9680 118.1207 58.2899 42.0732 178.9241 108 V 3.8263 7.9880 118.0449 66.1897 31.2687 177.9801 109 Q 4.1110 8.7165 118.1165 59.0112 28.6022 178.7453 110 R 4.0309 8.5414 120.0164 59.3975 30.2695 178.4081 111 L 4.0101 8.2078 118.8898 58.1419 41.6196 179.7303 112 F 4.2502 8.3749 117.5606 60.3002 38.7146 177.8781 113 S 4.3913 8.5826 113.1971 61.6618 62.0874 176.1194 114 E 4.0694 8.5124 120.2295 59.1662 29.2577 178.0427 115 D 4.6706 7.8237 115.2748 54.7479 41.4647 176.7032 116 G 3.9381 8.4461 107.1890 46.0480 0.0000 173.0259 117 Y 4.4584 8.0726 116.9664 56.8313 39.6883 175.3144 118 E 4.2807 8.8692 122.0840 56.1330 30.7699 175.5864 119 V 4.6759 8.4453 125.1517 61.3737 33.6580 174.6644 120 T 4.6259 8.6053 124.9138 61.6401 70.7930 173.3599 121 A 5.6302 8.8830 128.7517 49.5965 19.6990 175.3609 122 P 4.3746 0.0000 0.0000 62.2584 32.0019 174.4578 123 P 4.2298 0.0000 0.0000 66.1715 31.7246 176.5287 *130 Y 4.7457 7.4570 113.4881 57.2666 38.5778 174.8327 131 S 4.8161 7.4696 115.6956 55.5410 67.8767 175.1537 132 G 3.8223 8.9846 111.4457 48.4848 0.0000 175.7280 133 T 3.8715 8.0124 117.5565 66.5037 68.5343 175.8557 134 E 3.9199 8.3636 120.9579 59.2690 29.6618 178.8764 135 V 3.7223 7.9488 118.1221 66.4195 31.6818 178.3269 136 R 3.9312 8.5772 117.9453 59.0545 29.7267 179.1073 137 R 3.9200 8.2827 118.9801 59.4484 30.0684 178.8119 138 R 4.0337 8.2648 117.9242 59.2848 29.8301 178.9075 139 M 3.9043 7.8123 118.1194 58.1720 31.9177 178.4571 140 L 4.1669 7.6847 118.2866 57.3790 41.9178 178.2193 141 D 4.7404 8.1014 116.0863 53.3647 40.9522 176.0992 142 D 4.5582 8.1294 117.4002 55.3689 38.4262 174.6698 143 G 3.9691 8.2469 109.9613 45.2087 0.0000 174.3805 144 D 4.5909 8.3289 117.3914 52.7220 39.8792 176.3170 145 W 4.5284 8.1317 121.4495 58.3821 29.6798 179.6323 146 R 3.3803 6.8751 118.1265 58.8975 29.4275 178.7465 147 S 4.1904 7.8782 110.4374 60.5677 63.3431 174.8513 148 L 4.5766 8.0999 120.3983 55.5268 41.8837 176.1969 149 L 4.9840 7.4336 118.0061 51.4746 45.1925 175.2841 150 P 4.3834 0.0000 0.0000 62.5396 33.3330 177.8035 151 E 4.0283 8.7225 120.2620 59.4653 29.3905 179.8911 152 S 4.1569 8.0336 114.1458 61.3366 62.9777 176.6827 153 V 3.5708 7.7192 121.3962 65.7048 31.3605 177.8599 154 V 3.8325 7.7209 117.6888 66.1113 31.2753 177.4974 155 E 3.9349 8.3251 118.9082 59.3494 29.4984 179.0005 156 V 3.5689 7.7122 118.1504 66.1117 31.5242 177.9326 157 I 3.6466 8.0032 119.7551 64.5224 37.0225 178.1815 158 D 4.4216 8.4774 119.7870 57.4499 40.4838 178.4180 159 E 4.0431 8.3111 118.9363 58.4239 29.6613 177.8490 160 I 4.2649 7.5914 110.1844 59.6195 38.5744 174.9653 161 N 4.2628 8.2266 116.9303 54.3769 36.7177 176.8183 162 G 3.9726 8.5097 106.8550 48.3181 0.0000 175.7588 163 V 3.4132 7.6589 120.2148 65.4797 31.6077 177.4244 164 E 3.9036 8.1666 118.6616 59.2053 29.4719 178.6870 165 R 3.7984 8.0467 118.5433 59.6432 30.3830 178.5277 166 I 3.6012 7.7820 119.7052 64.2618 36.7942 178.7105 167 K 3.9610 8.0756 118.7930 59.6809 31.9883 178.5748 168 H 4.2920 7.9758 117.3948 59.2990 29.8395 176.9826 169 L 4.0845 7.8590 119.6766 57.4808 41.4960 177.5595 170 A 4.2827 7.7358 123.9929 52.3292 18.5757 176.9505 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 4 M 8.16 4.70 0.00 2.44 2.10 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.67 0.00 5 R 9.33 4.96 0.00 1.99 1.93 0.00 3.16 0.00 0.00 3.55 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.95 0.00 6 G 9.15 4.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.50 5.08 0.00 0.83 0.57 0.59 -0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 8 L 9.01 5.25 0.00 1.74 1.40 1.01 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 9 V 7.73 4.96 2.31 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 1.11 0.00 0.00 1.05 0.00 0.00 10 G 8.68 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 0.00 0.00 0.00 11 R 8.91 4.30 0.00 1.86 2.04 0.00 3.36 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 12 M 8.04 3.26 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 13 Q 7.75 5.00 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.84 0.00 0.00 0.00 0.00 0.00 2.53 2.45 0.00 14 P 0.00 5.31 0.00 2.13 1.97 0.00 3.51 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 15 F 8.65 4.29 0.00 2.78 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 H 7.88 4.64 0.00 3.36 3.39 0.00 5.52 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 17 R 8.12 3.58 0.00 0.89 1.48 0.00 3.34 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.55 0.00 18 G 6.82 3.36 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 0.00 19 A 7.63 3.94 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 20 L 7.14 3.94 0.00 1.24 1.55 1.00 0.65 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 21 Q 8.09 3.93 0.00 2.23 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.33 2.44 0.00 22 V 7.77 3.68 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 1.05 0.00 0.00 0.89 0.00 0.00 23 I 7.87 3.58 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.78 0.83 0.00 0.00 24 K 7.80 3.96 0.00 1.89 1.85 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.59 7.81 25 S 8.05 4.39 0.00 4.04 4.10 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 26 I 7.84 3.45 1.76 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.29 0.39 0.00 0.00 27 L 7.72 4.22 0.00 1.75 1.72 0.96 0.85 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 28 E 7.95 4.29 0.00 2.09 2.00 0.00 0.00 0.00 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 2.61 0.00 29 E 8.02 4.63 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 30 V 7.30 4.65 2.34 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 0.96 0.00 0.00 1.06 0.00 0.00 31 D 8.96 4.62 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 32 E 8.20 5.10 0.00 2.06 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 2.31 2.35 0.00 33 L 9.11 5.27 0.00 1.72 1.53 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.82 4.75 1.74 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.64 0.83 0.00 0.00 35 I 9.15 4.64 1.90 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.69 0.78 0.00 0.00 36 C 9.09 4.90 0.00 2.83 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 37 I 8.55 4.40 1.89 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.69 0.93 0.00 0.00 38 G 9.06 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 S 9.16 4.24 0.00 4.02 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 40 A 8.11 4.19 1.38 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 0.00 0.00 41 Q 7.96 4.32 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 42 L 7.55 4.49 0.00 1.69 1.62 0.95 0.82 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 43 S 8.52 4.58 0.00 3.92 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 44 H 8.20 3.91 0.00 3.23 3.35 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 S 7.49 4.75 0.00 3.91 3.76 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 46 I 8.30 3.72 1.83 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 1.26 0.77 0.87 0.00 0.00 47 R 7.80 4.22 0.00 1.74 1.92 0.00 3.16 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 48 D 7.91 4.78 0.00 2.74 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 49 P 0.00 3.92 0.00 0.49 1.37 0.00 3.62 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 1.72 1.80 0.00 50 F 7.64 5.28 0.00 3.14 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.78 4.22 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 52 A 8.59 4.11 1.43 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 0.00 0.00 0.00 0.00 0.00 0.00 53 G 8.13 3.60 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 0.00 0.00 0.00 54 E 8.23 4.02 0.00 2.29 2.00 0.00 0.00 0.00 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 2.40 0.00 55 R 8.06 3.91 0.00 2.04 1.95 0.00 3.27 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.84 0.00 56 V 7.96 3.52 2.26 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 1.11 0.00 0.00 1.01 0.00 0.00 57 M 7.94 4.04 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 58 M 8.03 4.02 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.47 0.00 59 L 7.87 3.27 0.00 1.61 1.30 -0.47 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.99 3.88 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 1.24 0.00 0.00 61 K 8.23 3.96 0.00 1.90 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.51 7.81 62 A 7.83 4.60 1.58 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 63 L 8.13 3.88 0.00 1.54 1.56 -0.16 0.68 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 64 S 8.11 4.13 0.00 4.02 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 65 E 8.44 4.09 0.00 2.08 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 2.40 0.00 66 N 7.79 4.81 0.00 2.85 2.83 0.00 0.00 7.05 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.03 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 0.00 0.00 0.00 68 I 7.41 3.99 1.95 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 1.04 0.00 0.00 69 P 0.00 4.31 0.00 2.14 1.94 0.00 3.63 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 70 A 8.54 3.34 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 7.67 4.04 0.00 3.86 3.87 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 72 R 7.69 4.23 0.00 2.09 2.04 0.00 3.13 0.00 0.00 3.25 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 73 Y 6.56 5.36 0.00 2.98 2.90 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 74 Y 9.22 4.76 0.00 2.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.68 4.91 1.93 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 1.59 0.91 0.89 0.00 0.00 76 I 8.48 4.54 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.01 0.91 0.00 0.00 77 P 0.00 4.87 0.00 1.96 2.01 0.00 3.63 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 2.04 2.09 0.00 78 V 8.89 4.44 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 1.13 0.00 0.00 0.98 0.00 0.00 79 Q 8.92 4.75 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 80 D 9.68 4.86 0.00 2.66 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 81 I 7.72 4.67 1.87 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.72 0.74 0.00 0.00 82 E 8.82 3.93 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 2.30 2.33 0.00 83 C 7.84 4.48 0.00 3.00 2.90 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 84 N 8.80 4.34 0.00 2.71 2.87 0.00 0.00 6.94 7.88 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 85 A 8.08 4.14 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 86 L 7.88 4.53 0.00 1.74 1.71 0.94 0.57 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 87 W 8.10 4.20 0.00 3.37 3.31 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 88 V 7.76 2.90 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 0.83 0.00 0.00 0.10 0.00 0.00 89 G 7.92 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.06 4.12 0.00 3.16 3.37 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 7.44 3.60 1.70 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.01 0.74 0.00 0.00 92 K 8.17 4.06 0.00 1.96 1.86 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.15 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.48 1.73 7.81 93 M 8.02 4.07 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.55 0.00 94 L 7.42 4.52 0.00 1.59 1.62 0.73 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 95 T 6.94 4.63 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 1.18 0.00 0.00 96 P 0.00 4.47 0.00 1.74 1.78 0.00 3.41 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.73 0.00 97 P 0.00 4.34 0.00 2.00 1.90 0.00 3.58 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 106 P 0.00 4.49 0.00 2.20 2.13 0.00 3.94 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 2.13 2.05 0.00 107 L 7.97 3.89 0.00 1.70 1.79 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.99 3.83 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 1.00 0.00 0.00 109 Q 8.72 4.11 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.62 0.00 110 R 8.54 4.03 0.00 1.99 1.96 0.00 3.20 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 111 L 8.21 4.01 0.00 1.83 1.72 1.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 112 F 8.37 4.25 0.00 3.43 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 0.00 113 S 8.58 4.39 0.00 4.11 4.10 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 0.00 114 E 8.51 4.07 0.00 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0.00 0.00 0.00 0.00 0.00 1.66 1.93 0.00 137 R 8.28 3.92 0.00 2.00 2.10 0.00 3.28 0.00 0.00 3.48 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 138 R 8.26 4.03 0.00 2.25 2.07 0.00 3.32 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 2.02 0.00 139 M 7.81 3.90 0.00 1.55 2.03 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 1.32 0.00 140 L 7.68 4.17 0.00 1.77 1.71 0.88 1.04 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 0.00 141 D 8.10 4.74 0.00 2.72 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.13 4.56 0.00 2.87 2.82 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 0.00 143 G 8.25 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 D 8.33 4.59 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 W 8.13 4.53 0.00 3.69 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 0.00 146 R 6.88 3.38 0.00 1.34 1.58 0.00 2.71 0.00 0.00 2.98 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 147 S 7.88 4.19 0.00 3.95 3.99 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 0.00 0.00 0.00 148 L 8.10 4.58 0.00 2.16 1.91 0.96 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.43 4.98 0.00 1.70 1.57 1.27 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 P 0.00 4.38 0.00 2.14 1.92 0.00 3.49 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.95 0.00 151 E 8.72 4.03 0.00 1.96 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 2.36 2.28 0.00 152 S 8.03 4.16 0.00 4.06 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 0.00 153 V 7.72 3.57 2.28 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 1.19 0.00 0.00 1.18 0.00 0.00 154 V 7.72 3.83 2.22 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 0.94 0.00 0.00 1.01 0.00 0.00 155 E 8.33 3.93 0.00 2.20 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 2.32 2.34 0.00 156 V 7.71 3.57 2.16 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 0.90 0.00 0.00 0.92 0.00 0.00 157 I 8.00 3.65 2.15 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 1.04 0.47 0.82 0.00 0.00 158 D 8.48 4.42 0.00 2.94 2.79 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 0.00 159 E 8.31 4.04 0.00 1.98 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 0.00 2.34 2.34 0.00 160 I 7.59 4.26 1.93 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 1.85 0.97 0.94 0.00 0.00 161 N 8.23 4.26 0.00 3.04 2.97 0.00 0.00 6.84 7.16 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 0.00 162 G 8.51 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.66 3.41 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.50 0.00 0.00 164 E 8.17 3.90 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 165 R 8.05 3.80 0.00 1.91 2.02 0.00 2.87 0.00 0.00 2.83 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.63 0.00 166 I 7.78 3.60 1.73 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.08 0.78 0.00 0.00 167 K 8.08 3.96 0.00 1.78 1.86 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.50 7.81 168 H 7.98 4.29 0.00 3.24 3.40 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 L 7.86 4.08 0.00 1.77 1.67 0.84 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 170 A 7.74 4.28 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.