NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4512 8.3344 115.4153 58.1998 64.6686 174.7091 1 M 3.9619 8.4409 122.1650 58.9503 32.5172 174.4406 2 L 4.6036 7.9307 117.7935 53.7778 44.5082 176.2182 3 K 4.5373 8.1690 122.3778 52.9942 33.2454 177.6346 4 S 4.3347 8.4755 117.5119 58.6451 63.4090 173.9693 5 V 4.4760 8.2679 123.4159 60.9749 34.0938 174.5970 6 G 4.2225 8.7018 113.6072 44.3852 0.0000 172.4008 7 V 4.6813 8.9106 124.4834 61.0444 35.2164 174.7610 8 I 4.4730 8.8246 128.1231 60.0749 38.1273 174.6002 9 L 4.7535 8.8276 131.6203 53.8610 43.2809 175.3443 10 V 4.6707 9.0112 128.0656 61.3749 33.3984 174.2663 11 L 5.3248 8.9668 128.5167 53.1785 44.4124 175.8611 12 S 5.2047 9.1448 118.5245 55.7179 67.2781 173.1294 13 S 4.2416 8.0099 115.6041 55.7435 66.5604 171.5324 14 P 4.4917 0.0000 0.0000 62.5231 31.4110 176.8495 15 S 4.0563 9.4909 122.2682 59.4933 62.1382 174.7339 *21 T 4.2552 7.9283 119.0829 60.7325 71.0530 173.3781 22 V 3.5906 8.0519 118.2727 66.0724 32.4747 177.2234 23 A 3.9328 8.0381 120.0429 55.5660 18.0735 178.8447 24 N 4.2508 8.3151 116.1561 57.3524 38.4820 178.2591 25 K 4.0663 7.7132 125.5351 60.3288 31.7626 181.2993 26 L 4.3535 7.5775 121.8093 59.5405 40.9420 181.7954 27 L 4.3979 7.7070 121.0818 57.5755 42.5500 179.1109 28 E 4.2412 7.8213 118.8094 57.2736 29.1535 179.0311 *33 N 4.8035 7.7419 117.3228 53.9856 39.8060 174.1103 34 I 5.0840 7.5539 117.4614 59.4283 41.9069 175.1860 35 V 4.5716 8.6873 123.7414 59.8815 34.7680 176.1724 36 K 4.4488 8.5606 126.2497 55.2858 32.6075 176.6485 37 S 4.7917 8.1363 116.2553 56.7077 64.7160 173.3647 38 V 4.1895 8.2676 125.7632 61.3103 32.8453 175.4623 39 S 4.8870 8.4768 123.6293 58.0995 64.9725 173.2043 40 V 4.8419 9.0082 122.3016 62.7497 33.0323 174.7694 41 T 5.0187 8.9885 120.6643 60.9956 70.8377 173.9055 42 T 5.3523 8.3245 115.5071 61.1376 69.5780 175.2126 43 R 4.1783 7.3363 118.9677 55.6484 30.4314 176.6330 44 A 3.9661 8.3971 122.9969 51.6727 19.0914 177.6018 45 A 3.5170 7.7510 124.2497 52.1359 19.0473 177.9362 46 R 4.3873 9.3776 124.2466 54.6191 31.9834 176.8450 47 K 4.0725 8.3292 120.6152 56.6252 31.7952 176.2031 48 G 4.1364 8.9865 112.2257 44.5549 0.0000 173.7409 49 E 4.5779 7.6500 118.3736 55.9600 30.4989 176.3181 50 K 4.6694 9.4092 120.8011 54.1358 35.4986 175.7879 51 E 4.4470 9.0663 123.6457 58.3680 29.7588 177.8714 52 G 3.7062 9.0201 117.1459 45.9166 0.0000 174.1053 53 K 4.2989 7.5230 117.9235 56.2467 34.0147 182.8406 54 D 4.3555 8.2082 118.5286 56.6295 41.2933 176.3206 55 Y 4.5244 6.8789 113.7895 56.7051 43.0810 173.5057 56 Y 4.9691 8.6385 119.2853 56.6688 39.0890 174.9995 57 F 5.1704 9.4918 125.0681 56.5998 40.2061 175.9006 58 V 4.7947 9.0334 116.7754 59.6198 36.6514 174.6878 59 D 4.9229 8.4292 121.1628 52.0115 41.4579 177.6634 60 R 4.0004 8.4003 117.6343 59.2563 29.8358 178.9142 61 E 3.9621 8.1705 118.6841 59.3780 29.7464 178.3972 62 E 3.9815 8.5233 119.4144 59.0504 29.8131 178.3225 63 F 3.9398 8.5375 120.8848 61.5195 39.4963 177.2316 64 L 4.1937 8.4067 120.9455 58.3749 41.4828 180.3350 65 R 3.9830 8.1650 120.7851 61.4142 28.9380 181.6664 66 L 4.1757 7.9912 119.4310 57.5987 41.2325 179.4181 67 C 4.0953 7.6990 116.7273 62.5263 27.8087 176.1868 68 S 4.1931 7.8288 116.1685 61.4744 62.6214 175.8435 69 N 4.6445 7.6626 115.5100 53.2168 37.3099 175.8140 70 G 3.9038 7.5847 108.1833 45.8477 0.0000 174.4249 71 E 4.0996 8.4530 119.3641 57.2254 29.8936 176.1755 72 I 4.7688 7.0601 118.9676 59.4659 38.8294 175.3701 73 I 4.0746 8.3451 125.5243 61.9910 38.3933 175.0042 74 E 4.8081 7.7774 120.3531 55.4326 32.8909 173.2283 75 H 5.3987 8.4715 120.0879 54.6993 31.6954 172.1928 76 A 4.6481 9.1651 120.8632 50.5706 23.5780 174.7251 77 E 4.8455 8.6458 120.2035 54.9935 30.8942 175.4112 78 V 3.9960 9.1565 126.0523 61.6780 33.5565 175.3726 79 F 4.0983 9.3291 128.9275 58.6798 36.2458 176.6429 80 G 4.0325 8.7373 106.3957 44.9654 0.0000 172.2394 81 N 4.8480 8.0287 115.5458 51.3354 43.4812 173.2028 82 F 5.4122 8.2778 119.2680 56.6531 41.0998 174.8857 83 Y 5.4714 9.1084 119.2934 56.8191 42.5288 174.4855 84 G 4.6435 9.6153 108.1149 45.4779 0.0000 171.8677 85 V 4.7716 8.5616 121.8084 60.4522 33.1305 173.8862 86 P 4.8772 0.0000 0.0000 62.2312 32.1461 176.5880 87 R 3.8988 8.9358 125.3068 59.6286 30.2194 176.7964 88 K 3.8848 7.8920 118.7930 56.4953 31.6007 179.0926 89 N 4.6320 9.0451 121.1980 52.7882 36.7001 176.4622 90 L 3.9945 7.9947 122.8542 58.9802 42.3344 179.2983 91 E 4.1014 8.2576 120.2577 61.8334 29.7794 181.2059 92 D 4.7864 8.0527 121.6352 58.3916 39.8349 180.3477 93 N 4.6496 8.5298 120.0066 56.8941 38.0630 178.6057 94 V 3.6228 7.7457 120.7883 66.0669 31.4217 180.6394 95 D 4.6597 7.8369 120.2314 57.5947 40.7766 178.9880 96 K 4.2753 7.7895 122.3229 57.4195 31.8885 180.9962 97 G 4.0716 7.7179 105.3106 45.9799 0.0000 173.0052 98 V 4.2550 7.7334 119.9583 61.3570 32.6309 175.8140 99 S 4.8304 8.5730 123.6051 58.0863 64.9912 173.1711 100 T 4.9482 8.6618 118.7167 61.7157 71.9011 172.7175 101 L 4.8216 9.0208 128.6411 53.7842 43.8691 174.8875 102 L 4.6081 8.9063 127.0804 52.9844 44.2297 175.7119 103 V 4.7334 8.4971 124.9216 61.2324 31.8710 174.2380 104 I 4.8872 8.4810 120.9674 58.1901 41.9818 174.6937 105 D 4.7942 8.3867 123.1005 52.1739 42.2093 176.8842 106 W 4.9808 8.5444 117.3278 59.4634 27.9796 178.0447 107 Q 3.1520 6.7339 118.4164 58.3303 28.0542 178.9701 108 G 3.6786 8.3030 106.3479 47.1262 0.0000 175.5080 109 A 4.1806 8.3833 123.7104 54.9863 18.4067 179.7168 110 F 4.1741 8.8972 116.7389 60.5454 38.9511 177.7840 111 K 3.8725 8.1770 119.2231 59.6452 31.9816 178.9036 112 F 3.9448 8.3367 117.9941 60.8040 38.6217 177.6038 113 M 4.0932 8.3251 117.6607 58.3114 31.7497 178.1916 114 E 4.1660 8.0104 117.8888 58.9297 29.9127 178.2800 115 M 4.2161 8.2486 118.0446 57.7582 33.2898 176.5588 116 M 4.8980 8.3772 118.5300 53.8820 33.2358 176.7485 117 R 3.9246 8.4562 123.7700 60.3075 30.6020 178.6028 118 E 4.0890 8.1125 111.7193 58.2650 30.0831 178.5673 119 H 5.0061 8.3762 112.7442 56.2898 30.6803 174.6081 120 V 4.7405 7.4850 118.4587 61.4283 33.1043 175.2074 121 V 4.7728 8.9022 127.5158 61.1594 34.2769 174.1001 122 S 5.5071 9.6731 123.1323 56.8162 65.9842 173.2257 123 I 5.4208 9.1775 122.9005 59.8531 41.2045 173.7433 124 F 4.6481 9.4107 130.1280 56.6232 41.1259 174.4910 125 I 4.6919 8.0423 128.1743 60.1699 37.6847 174.8588 126 M 4.7115 9.2307 129.0776 53.7527 33.0954 174.3585 127 P 4.7499 0.0000 0.0000 62.0451 32.3327 175.4497 128 P 4.4235 0.0000 0.0000 64.7868 31.8195 176.8586 129 S 4.5695 7.1827 108.8040 56.5955 67.1521 175.7864 130 M 4.0685 8.3767 121.3068 58.4973 31.9275 177.8568 131 E 3.9259 8.0822 119.2748 59.2302 29.7365 178.3662 132 E 3.9524 7.9280 117.4658 59.2477 29.9144 178.7307 133 L 4.1654 8.1611 122.7200 59.0588 41.9677 179.9946 134 R 4.1210 8.2681 121.8182 61.6207 29.2828 180.1012 135 R 4.8173 7.9583 121.4606 59.1993 30.1036 180.6352 136 R 4.6486 7.7327 116.6755 56.7390 32.1762 179.3330 *150 A 4.4490 8.0559 120.3049 53.3963 20.8006 179.5815 151 R 4.0808 8.1326 119.7879 62.2392 29.3725 183.3186 152 L 4.3647 8.0527 125.2134 59.7413 40.9446 181.9062 153 K 4.3365 8.1863 123.9130 59.7164 31.7349 181.6511 154 G 4.1419 8.3811 106.9365 47.8158 0.0000 175.6977 155 A 4.1640 8.3493 123.1786 54.8306 18.4459 179.4938 156 A 3.9899 8.3812 119.5933 55.2695 18.1921 179.6445 157 F 4.1895 8.1397 118.1776 61.4090 39.8109 176.8174 158 E 3.8107 8.2068 118.0370 59.6746 29.3028 179.3858 159 I 3.3573 8.1712 120.2450 64.3339 36.8978 178.4625 160 S 3.9002 7.5032 114.0554 61.3968 62.8681 175.5840 161 H 4.3900 7.6648 118.4640 56.6827 28.5804 176.7534 162 C 3.7427 7.6702 117.7140 60.7971 28.9761 175.5200 163 E 4.0121 8.1491 119.8036 58.6849 29.0997 177.8302 164 A 4.3608 8.0489 118.5795 51.8493 19.7593 176.9228 165 Y 4.4386 7.6230 115.9755 57.2447 39.1354 176.3680 166 D 4.3661 8.8897 122.7486 57.1726 41.4243 176.6105 167 Y 4.9797 8.6503 114.4484 56.1019 42.4449 174.9496 168 V 5.0697 8.5813 120.7360 61.3605 34.9102 174.6848 169 I 4.7147 8.7758 127.2498 59.5229 41.1765 174.4037 170 V 4.3197 8.4661 126.7052 62.1768 32.2552 176.1018 171 N 4.8426 8.8761 129.1551 52.1703 36.3885 174.2487 172 E 4.1306 8.3330 122.1478 58.0653 30.5937 177.7250 173 D 4.6369 7.7260 117.4463 51.4263 44.4091 175.1255 174 I 3.7432 8.5335 126.9674 64.4152 37.8981 177.3187 175 E 3.8728 8.2074 119.4150 59.0891 29.5270 177.9164 176 E 3.8972 8.2789 119.3582 59.7775 29.5297 178.8524 177 T 3.8182 8.2444 115.6661 66.6211 68.4388 176.2022 178 A 3.9694 8.1622 122.6255 55.4811 18.3806 179.4500 179 D 4.2751 8.3879 117.5638 57.5716 40.8711 179.3278 180 R 3.9015 8.3310 118.9361 59.1727 29.9744 179.1790 181 I 3.6019 8.0140 119.9650 64.4430 37.1308 178.3697 182 S 4.0364 8.2999 114.1933 61.4665 62.1154 176.0317 183 N 4.3222 8.3200 119.2896 56.2719 38.2265 177.5016 184 I 3.5167 7.7306 121.2478 64.0286 37.2325 178.1286 185 L 3.8916 7.9789 121.3404 58.3676 41.6883 179.3458 186 R 4.0952 7.7248 116.4029 59.0138 30.1596 178.7165 187 A 4.1328 8.0092 120.5703 55.4053 18.6337 179.6021 188 E 3.9539 8.3583 117.0139 59.6043 29.2673 179.4740 189 Q 4.1947 7.9045 116.3918 58.0006 28.8074 177.2596 190 M 4.4461 7.7517 118.4270 53.8374 32.9060 176.2531 191 K 4.1429 7.5488 120.7793 56.5509 33.1124 178.2265 192 T 3.9120 8.7229 120.7281 66.7903 68.5820 176.2033 193 C 4.2899 8.0274 114.4172 60.4128 29.7194 174.3766 194 R 4.2902 7.7039 118.0160 56.7492 30.2248 176.3868 195 Q 4.2110 7.8130 118.4751 55.2339 29.2788 175.6042 196 V 4.0569 8.3299 122.9053 62.7472 32.9653 175.4311 197 G 3.9220 8.7811 113.2284 46.9129 0.0000 175.5172 198 L 4.0119 8.1733 125.6635 58.4898 42.0367 179.2999 199 R 4.0357 8.1273 122.5620 62.2369 29.3811 180.9700 200 E 4.2029 8.1267 118.8630 60.5599 29.7159 180.4589 201 L 4.1565 8.0954 121.2981 58.2988 42.1206 179.2370 202 L 4.2289 8.3412 119.1586 57.9213 41.3163 179.3641 203 E 4.0130 8.3022 118.1323 59.3465 29.4421 179.2393 204 S 4.2772 8.0427 113.4592 61.0564 63.4458 176.0241 205 R 4.0941 8.1101 120.0446 56.0992 31.6676 176.6716 206 F 4.9085 8.0965 116.0673 55.2747 39.3962 173.4791 207 P 4.3884 0.0000 0.0000 62.6024 32.2860 176.8642 208 I 3.9681 8.4472 125.5238 61.7317 37.7070 176.5012 209 E 4.3171 8.6803 120.4407 55.9960 30.5488 172.2630 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 0 S 8.33 4.45 0.00 4.00 4.03 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 1 M 8.44 3.96 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.71 0.00 2 L 7.93 4.60 0.00 1.69 1.73 0.94 0.85 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 3 K 8.17 4.54 0.00 1.77 1.58 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.30 1.02 7.81 4 S 8.48 4.33 0.00 3.85 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 5 V 8.27 4.48 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 0.81 0.00 0.00 1.09 0.00 0.00 6 G 8.70 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 0.00 0.00 0.00 7 V 8.91 4.68 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 1.09 0.00 0.00 0.95 0.00 0.00 8 I 8.82 4.47 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.61 0.63 0.00 0.00 9 L 8.83 4.75 0.00 1.73 1.63 0.95 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 10 V 9.01 4.67 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 1.09 0.00 0.00 0.78 0.00 0.00 11 L 8.97 5.32 0.00 1.57 1.50 0.89 0.58 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 12 S 9.14 5.20 0.00 3.59 3.66 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 13 S 8.01 4.24 0.00 3.63 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 14 P 0.00 4.49 0.00 2.10 2.13 0.00 3.63 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 2.10 2.28 0.00 15 S 9.49 4.06 0.00 4.00 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 *21 T 7.93 4.26 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 22 V 8.05 3.59 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 0.95 0.00 0.00 0.90 0.00 0.00 23 A 8.04 3.93 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 24 N 8.32 4.25 0.00 2.86 2.88 0.00 0.00 7.10 7.01 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 25 K 7.71 4.07 0.00 1.80 1.73 0.00 1.81 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.33 7.81 26 L 7.58 4.35 0.00 1.78 1.61 0.92 0.78 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 27 L 7.71 4.40 0.00 1.60 1.73 0.92 0.92 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 28 E 7.82 4.24 0.00 2.09 1.79 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 2.25 2.18 0.00 *33 N 7.74 4.80 0.00 2.86 2.81 0.00 0.00 6.42 7.67 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 34 I 7.55 5.08 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.13 0.89 0.00 0.00 35 V 8.69 4.57 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 0.58 0.00 0.00 1.00 0.00 0.00 36 K 8.56 4.45 0.00 1.54 1.59 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.01 7.81 37 S 8.14 4.79 0.00 3.79 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 38 V 8.27 4.19 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.09 0.00 0.00 0.80 0.00 0.00 39 S 8.48 4.89 0.00 4.14 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 9.01 4.84 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 1.10 0.00 0.00 1.00 0.00 0.00 41 T 8.99 5.02 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 42 T 8.32 5.35 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 1.15 0.00 0.00 43 R 7.34 4.18 0.00 1.82 1.79 0.00 3.12 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.59 0.00 44 A 8.40 3.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 A 7.75 3.52 0.36 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 46 R 9.38 4.39 0.00 2.01 1.88 0.00 3.24 0.00 0.00 3.25 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 47 K 8.33 4.07 0.00 1.77 1.63 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.03 7.81 48 G 8.99 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 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0.00 3.07 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 58 V 9.03 4.79 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 0.92 0.00 0.00 1.16 0.00 0.00 59 D 8.43 4.92 0.00 2.90 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 60 R 8.40 4.00 0.00 1.85 2.07 0.00 2.91 0.00 0.00 2.94 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.44 0.00 61 E 8.17 3.96 0.00 2.04 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 2.41 2.34 0.00 62 E 8.52 3.98 0.00 2.26 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 0.00 2.34 2.38 0.00 63 F 8.54 3.94 0.00 3.43 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 64 L 8.41 4.19 0.00 1.99 1.75 1.06 0.98 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 65 R 8.17 3.98 0.00 1.83 1.94 0.00 3.27 0.00 0.00 3.17 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0.00 1.77 1.45 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 0.00 83 Y 9.11 5.47 0.00 2.92 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 84 G 9.62 4.64 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 0.00 0.00 0.00 85 V 8.56 4.77 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 1.09 0.00 0.00 1.14 0.00 0.00 86 P 0.00 4.88 0.00 2.13 1.93 0.00 3.90 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.13 0.00 87 R 8.94 3.90 0.00 1.85 1.92 0.00 3.10 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 88 K 7.89 3.88 0.00 1.81 1.65 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.06 7.81 89 N 9.05 4.63 0.00 2.98 3.06 0.00 0.00 6.72 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 L 7.99 3.99 0.00 1.86 1.70 0.90 1.56 0.00 0.00 0.00 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6.73 3.15 0.00 1.77 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.94 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 108 G 8.30 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 A 8.38 4.18 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 0.00 110 F 8.90 4.17 0.00 3.26 3.17 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 0.00 111 K 8.18 3.87 0.00 1.80 1.98 0.00 1.38 0.00 0.00 1.51 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.15 1.09 7.81 112 F 8.34 3.94 0.00 3.20 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 0.00 113 M 8.33 4.09 0.00 1.89 2.13 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 114 E 8.01 4.17 0.00 2.06 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 115 M 8.25 4.22 0.00 1.80 1.96 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.08 0.98 0.00 0.00 124 F 9.41 4.65 0.00 2.15 2.64 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 0.00 125 I 8.04 4.69 1.69 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 1.10 0.90 0.87 0.00 0.00 126 M 9.23 4.71 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.56 0.00 127 P 0.00 4.75 0.00 2.43 2.18 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 128 P 0.00 4.42 0.00 2.24 2.37 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 129 S 7.18 4.57 0.00 4.04 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 0.00 130 M 8.38 4.07 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.67 0.00 131 E 8.08 3.93 0.00 2.04 1.93 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 2.38 2.34 0.00 132 E 7.93 3.95 0.00 2.15 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 2.32 0.00 133 L 8.16 4.17 0.00 1.85 1.94 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 134 R 8.27 4.12 0.00 1.90 1.84 0.00 3.31 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.52 0.00 135 R 7.96 4.82 0.00 1.91 1.82 0.00 3.18 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 136 R 7.73 4.65 0.00 1.79 1.78 0.00 3.27 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 *150 A 8.06 4.45 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 0.00 151 R 8.13 4.08 0.00 1.83 1.95 0.00 3.26 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 152 L 8.05 4.36 0.00 1.64 1.71 0.92 1.03 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 0.00 153 K 8.19 4.34 0.00 1.75 1.85 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.08 7.81 154 G 8.38 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 0.00 0.00 0.00 155 A 8.35 4.16 1.44 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 0.00 156 A 8.38 3.99 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 0.00 157 F 8.14 4.19 0.00 3.01 3.38 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 0.00 158 E 8.21 3.81 0.00 2.46 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 0.00 2.73 2.92 0.00 159 I 8.17 3.36 2.02 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 1.76 0.96 0.77 0.00 0.00 160 S 7.50 3.90 0.00 3.84 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 0.00 161 H 7.66 4.39 0.00 3.12 3.34 0.00 5.82 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 0.00 162 C 7.67 3.74 0.00 2.43 1.59 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 0.00 163 E 8.15 4.01 0.00 1.94 2.05 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 2.27 2.30 0.00 164 A 8.05 4.36 1.21 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 0.00 165 Y 7.62 4.44 0.00 3.32 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 0.00 166 D 8.89 4.37 0.00 2.90 2.45 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 0.00 167 Y 8.65 4.98 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 0.00 168 V 8.58 5.07 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 0.87 0.00 0.00 0.97 0.00 0.00 169 I 8.78 4.71 1.90 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 1.15 0.55 0.92 0.00 0.00 170 V 8.47 4.32 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 0.76 0.00 0.00 0.96 0.00 0.00 171 N 8.88 4.84 0.00 2.71 2.73 0.00 0.00 7.19 7.31 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 0.00 172 E 8.33 4.13 0.00 2.00 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 2.32 2.24 0.00 173 D 7.73 4.64 0.00 2.71 2.45 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 0.00 174 I 8.53 3.74 1.86 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 1.51 1.40 0.90 0.00 0.00 175 E 8.21 3.87 0.00 2.11 1.91 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 2.37 2.41 0.00 176 E 8.28 3.90 0.00 2.23 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 2.31 2.41 0.00 177 T 8.24 3.82 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 1.19 0.00 0.00 178 A 8.16 3.97 1.42 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 0.00 179 D 8.39 4.28 0.00 2.80 2.71 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 0.00 180 R 8.33 3.90 0.00 1.96 1.94 0.00 3.13 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 181 I 8.01 3.60 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.71 0.86 0.00 0.00 182 S 8.30 4.04 0.00 3.89 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 0.00 183 N 8.32 4.32 0.00 2.90 2.81 0.00 0.00 6.99 6.99 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 0.00 184 I 7.73 3.52 1.72 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.44 0.11 0.00 0.00 185 L 7.98 3.89 0.00 1.69 1.79 0.90 1.04 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 0.00 186 R 7.72 4.10 0.00 1.98 1.97 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 187 A 8.01 4.13 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 0.00 188 E 8.36 3.95 0.00 2.15 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 2.54 2.60 0.00 189 Q 7.90 4.19 0.00 2.21 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.93 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 190 M 7.75 4.45 0.00 1.98 2.22 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.57 0.00 191 K 7.55 4.14 0.00 1.97 1.76 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.91 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.80 7.81 192 T 8.72 3.91 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 1.21 0.00 0.00 193 C 8.03 4.29 0.00 3.08 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 0.00 194 R 7.70 4.29 0.00 1.98 2.04 0.00 3.28 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.62 0.00 195 Q 7.81 4.21 0.00 2.09 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.67 2.45 0.00 196 V 8.33 4.06 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 0.80 0.00 0.00 0.95 0.00 0.00 197 G 8.78 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 0.00 198 L 8.17 4.01 0.00 1.78 1.69 0.95 0.99 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 0.00 199 R 8.13 4.04 0.00 1.86 1.93 0.00 3.30 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 200 E 8.13 4.20 0.00 1.97 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 1.93 0.00 201 L 8.10 4.16 0.00 1.87 1.98 0.95 0.62 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 0.00 202 L 8.34 4.23 0.00 1.89 1.80 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 203 E 8.30 4.01 0.00 2.15 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 2.37 2.44 0.00 204 S 8.04 4.28 0.00 4.02 3.98 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 0.00 205 R 8.11 4.09 0.00 1.70 1.39 0.00 3.12 0.00 0.00 3.14 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 206 F 8.10 4.91 0.00 3.10 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 0.00 207 P 0.00 4.39 0.00 2.18 2.18 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 208 I 8.45 3.97 1.89 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 1.30 0.57 0.93 0.00 0.00 209 E 8.68 4.32 0.00 1.93 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 2.11 1.82 0.00 * Residues marked with a * may have inaccurate shift predictions.