NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.3428 8.3027 121.4750 55.7418 31.3315 176.1098 3 F 3.8473 8.9369 126.9214 60.9752 39.4118 175.7322 4 Y 4.3566 9.4256 119.9720 60.8044 39.0758 177.1272 5 E 3.8138 8.6878 119.6488 59.2652 29.6206 179.5527 6 V 3.5116 7.5824 118.3229 65.9470 31.3594 178.1672 7 I 3.6179 7.0448 117.9509 64.3819 37.0139 178.3407 8 K 4.0183 7.8698 118.3632 59.0969 31.8993 179.0087 9 K 4.0989 7.8996 118.9589 57.4361 32.3704 177.3201 10 R 3.9552 7.1932 119.7177 56.3602 30.3034 175.4743 11 K 4.6684 8.1476 122.6788 55.1478 35.7562 175.6454 12 S 4.5445 8.5932 116.1704 58.4153 63.0882 173.9576 13 I 4.4444 8.5157 126.7660 59.4527 39.0417 175.7645 14 K 4.6333 8.3952 121.5593 55.7392 34.1901 176.0133 15 K 4.6578 7.2857 118.5308 54.4498 35.4443 175.2046 16 F 5.3248 8.6849 122.2728 55.6208 42.9180 174.5985 17 E 4.5227 9.3306 122.0912 56.1285 30.0628 177.1906 18 Q 4.2138 8.8504 118.0642 57.1113 29.4420 176.2133 19 T 3.7150 7.9025 114.6064 63.6481 68.7839 173.3512 20 A 4.1429 8.4618 129.2231 51.9586 19.1490 177.0263 21 I 3.8153 7.9472 122.1305 60.9942 38.0428 176.3551 22 D 4.6189 9.3507 125.7504 53.7629 41.9078 177.6430 23 R 3.9861 8.7903 124.9185 59.6292 30.1875 178.1816 24 D 4.3950 8.1220 118.3709 56.4562 39.4364 178.6126 25 K 4.0005 8.0471 119.4851 58.9908 32.1955 178.6860 26 L 3.8895 8.1269 120.7145 58.4515 41.8897 179.2096 27 L 3.9786 8.1425 118.5568 57.3887 41.2541 179.6606 28 K 3.9726 7.9215 118.1399 59.3199 32.0376 178.9687 29 I 3.8162 7.5581 119.0357 64.5708 37.1384 178.2276 30 I 3.6531 7.4722 119.0924 64.0004 36.9616 178.8521 31 D 4.4002 7.9282 117.6686 54.0931 41.8596 176.2427 *33 A 4.0603 7.9890 117.8614 51.8037 19.8760 179.0634 *35 R 4.1672 8.1073 116.1495 56.9809 31.9233 176.1576 36 A 4.1673 7.7910 121.6457 50.9663 18.9649 176.2845 37 P 4.5754 0.0000 0.0000 62.8408 32.3403 175.8593 38 S 4.9163 8.1392 112.9549 56.2965 66.1773 173.0941 39 W 4.1413 10.0319 132.4753 58.7608 30.6834 176.2416 40 K 3.1924 8.6112 123.4815 56.8741 29.0618 174.4818 41 N 4.3592 7.8477 111.7074 52.8128 36.7608 174.9332 42 K 4.3913 7.7192 115.8948 56.5234 33.2558 177.6361 43 T 4.2121 7.8584 116.8579 61.2059 68.9049 172.5477 44 P 4.9513 0.0000 0.0000 62.2976 31.6309 175.9425 45 Y 5.4392 6.6401 115.4507 55.8541 41.2920 174.2080 46 K 4.8007 9.1778 118.5097 54.9844 37.5237 175.0287 47 F 5.3802 8.9424 119.7772 55.9283 42.1684 174.6569 48 I 4.9312 8.8595 124.3646 59.6522 39.4349 174.9339 49 V 4.2324 9.1371 128.6530 62.3746 32.5486 174.8210 50 V 4.6371 9.0519 129.6127 61.7665 31.7119 174.9333 51 E 4.4806 9.3985 128.1689 57.0003 31.6601 177.6323 52 S 4.1888 8.1513 113.8775 58.1285 63.6997 174.2014 53 D 4.3286 8.7358 128.1454 57.2188 41.0970 178.1021 54 K 3.9230 8.0025 119.8278 59.5544 32.1517 178.6562 55 L 4.1971 7.6519 117.8584 57.5232 41.5173 179.4765 56 K 3.9056 8.1581 118.6192 59.3483 31.9418 179.0094 57 L 3.9394 8.0697 120.5022 58.2588 41.7960 178.6632 58 D 4.3587 7.8421 117.5605 57.5128 41.1065 178.6969 59 I 3.7953 8.0923 120.2200 64.2329 37.2612 178.1248 60 A 4.0177 8.5310 121.9327 55.6079 17.9860 179.5637 61 N 4.4437 8.2455 113.1616 56.0718 38.8333 177.0735 62 A 4.2597 7.9563 121.9003 53.1619 18.7234 177.6291 63 I 4.3051 7.0038 117.6036 61.8988 38.1108 176.6957 64 E 4.7117 8.7107 124.7581 55.2296 29.0554 174.7461 65 N 4.9980 7.5338 116.3158 50.9998 41.8149 175.8416 66 K 4.0711 8.6907 121.1683 58.8934 32.4835 176.9694 67 T 4.6630 7.5377 106.6603 59.7406 71.2436 174.4570 68 S 4.4979 8.4412 115.4476 58.8726 63.2401 175.7495 69 A 3.9721 7.6945 124.8890 55.4959 18.1399 179.9524 70 A 4.0095 7.9775 118.7206 55.4678 18.6071 179.7508 71 S 4.1121 8.1191 113.1711 62.0387 62.9425 176.8056 72 E 4.0525 8.6143 121.1271 59.1539 28.6092 179.2262 73 A 4.3018 8.1956 121.1067 55.2688 18.2450 179.8956 74 V 3.5458 7.6417 115.7932 66.0388 31.6746 177.9831 75 L 4.1726 7.9109 117.9039 57.1723 41.5524 178.2788 76 N 4.8745 8.0933 113.2661 52.0355 39.1624 174.7274 77 S 4.7102 6.7497 114.5842 55.4513 65.1569 172.8253 78 P 4.1798 0.0000 0.0000 65.3019 31.4040 176.4056 *80 T 4.2053 7.6157 115.8610 63.5706 70.3948 172.5319 81 I 4.7370 8.6081 126.5216 59.6936 39.5160 174.6566 82 V 4.7760 8.9857 127.2045 61.0138 34.1606 173.8891 83 A 4.9682 9.1172 130.4286 50.5433 20.8247 175.6754 84 V 4.8492 8.8518 122.9146 61.1702 34.4736 174.3908 85 A 5.3235 9.2689 128.7927 50.2000 23.3217 174.4744 86 N 4.8590 9.1093 119.0063 51.2927 39.3764 174.0116 87 P 4.0535 0.0000 0.0000 64.8750 31.6254 178.2520 88 E 4.2624 8.0900 116.1626 57.2502 29.9723 177.4274 89 E 4.1143 8.2675 120.3041 59.0327 29.7564 178.4104 90 S 4.8981 8.1143 111.3576 57.2911 65.8216 176.6821 91 G 3.6995 7.6436 108.9752 46.8807 0.0000 172.9474 92 D 5.1138 8.3457 122.2476 52.1818 43.5721 175.1956 93 V 4.0686 8.1111 122.2080 61.8837 33.5609 175.8482 94 S 3.4324 9.6725 125.1720 59.8245 60.1954 173.3209 95 G 3.9144 8.3268 103.7615 45.6442 0.0000 173.4540 96 K 4.4393 7.5517 118.7267 53.6499 35.2619 175.6638 97 E 4.6548 8.3734 123.7202 55.6253 29.5117 177.7448 98 I 3.6354 8.1064 127.0574 64.3625 37.1483 177.9464 99 Y 4.3070 8.1259 118.1406 60.1734 37.6403 178.5874 100 L 3.6638 6.8003 120.1655 57.3683 41.6928 179.3991 101 I 3.6682 7.5004 119.1269 64.6826 37.1638 178.1743 102 D 4.5162 8.5079 119.9565 57.7441 40.4695 179.0654 103 T 3.4266 8.1415 115.3082 66.2107 68.4996 176.3612 104 A 4.4871 8.0248 122.0367 55.2466 18.8433 179.2865 105 I 3.9279 7.8916 118.0397 64.5205 37.2749 180.1996 106 A 4.1840 7.6744 120.2795 52.3320 18.2042 178.8325 *108 E 4.5584 8.2487 124.0467 58.2472 31.8468 177.5513 109 H 4.2952 8.2401 115.8212 58.6721 28.6388 177.6360 110 I 3.5036 7.6841 121.6273 64.3149 36.9687 178.5297 111 V 3.4873 7.5813 118.2191 66.1821 31.4496 177.9361 112 L 4.1259 8.5419 119.2192 57.6420 41.4153 179.7552 113 G 3.5714 8.5879 106.0227 47.5399 0.0000 175.3878 114 A 4.1200 8.4984 123.5814 55.4220 18.3981 179.6696 115 T 3.9773 7.7512 115.2747 66.3620 68.3638 176.0274 116 D 4.3474 7.9494 118.2517 57.2529 41.2220 177.3986 117 E 4.3136 7.8851 115.9102 55.8999 29.7169 176.8527 118 G 3.7116 7.8165 107.2865 45.5556 0.0000 172.7387 119 Y 5.2286 8.1644 117.1071 55.8141 40.8796 175.7395 120 G 4.3952 9.7460 110.8580 46.3690 0.0000 172.5110 121 T 5.2874 8.2732 110.2556 59.7407 72.9721 172.2625 122 C 4.8652 9.1879 121.8910 57.9954 34.9725 173.0126 123 W 4.5674 9.2763 127.2654 57.3015 29.5578 175.6501 124 I 4.8040 9.0770 125.1177 59.7440 39.4439 175.9188 125 A 4.4841 9.1364 127.9948 51.2955 20.9584 175.1658 126 A 4.2249 7.5189 119.5447 50.4964 19.6713 175.6739 127 F 5.0970 7.3238 115.2788 55.1808 40.4125 174.7716 128 N 4.5709 9.2197 120.9954 53.4694 38.2270 175.0603 129 E 4.1421 8.8459 129.2340 59.2944 29.8395 177.9756 130 N 4.3186 8.2811 116.0816 56.2934 38.6579 177.3563 131 K 3.9884 8.3754 119.9297 59.4692 32.1108 179.5546 132 I 3.7127 7.6432 119.7729 64.0965 36.8817 178.6064 133 K 3.9060 8.2602 119.6555 59.4697 31.3902 179.2421 134 E 3.9121 8.4918 118.9037 59.2392 29.1373 179.2804 135 A 3.8731 7.8946 119.7465 54.7392 18.7772 178.8442 136 L 4.3869 8.0057 114.9348 53.4335 42.4073 176.6811 137 K 3.8860 7.4113 116.9482 57.4259 29.7493 175.9127 138 I 3.8454 7.7243 119.2704 58.9714 38.4785 174.8048 139 P 4.1117 0.0000 0.0000 63.0751 31.5664 176.7522 140 D 4.4091 8.4892 120.9939 56.1020 41.3686 176.4339 141 N 4.4660 7.9227 114.3937 54.0422 37.8648 174.7200 142 L 4.4737 7.3016 119.3566 53.5180 43.7870 175.4893 143 R 4.7972 8.4452 118.4774 54.4618 33.4529 175.5996 144 V 4.2413 9.2056 124.7490 62.5383 31.2659 175.9895 145 V 4.1196 9.0416 129.1206 65.4652 31.8531 175.6398 146 A 5.2603 7.9212 119.4930 51.4710 22.7901 174.1991 147 L 5.1491 8.9399 118.4456 55.0646 44.6859 174.9619 148 T 5.2692 8.9037 113.4487 59.5650 71.0783 171.4719 149 P 4.5732 0.0000 0.0000 62.8803 33.0288 174.7065 150 L 4.7136 7.5149 121.7745 53.7144 44.8603 175.3086 151 G 3.9070 8.1917 111.7482 45.2793 0.0000 172.3189 152 V 4.4219 8.2690 120.5630 62.0418 32.4371 173.6723 153 P 4.6638 0.0000 0.0000 62.2933 31.9816 176.5021 154 K 4.2637 8.3320 123.0247 56.5297 32.1351 176.9722 155 D 4.4792 8.9883 123.8105 57.8666 40.8309 178.5641 156 S 3.9660 8.0714 112.9712 60.6151 62.9157 172.9209 *164 P 4.0887 0.0000 0.0000 61.8635 30.9984 174.4483 165 K 4.1098 8.2300 123.0214 55.5524 32.6070 176.9598 166 K 4.2378 8.4395 126.3123 56.3390 33.0954 176.9060 167 D 4.6561 8.3815 121.6654 53.3211 43.7476 175.3810 *169 D 4.5443 8.6316 118.0908 55.2034 42.6846 178.1785 170 E 3.9719 8.2492 113.0031 57.6011 29.8275 179.3561 171 Y 4.5579 7.5945 112.7428 57.9315 40.7400 174.6214 172 L 4.9837 7.4080 121.9409 53.6901 45.4065 174.7352 173 Y 5.5962 9.0115 123.7258 56.2777 42.0317 174.4870 174 I 4.9381 8.6156 121.2192 60.5939 39.9461 176.2723 175 D 4.8507 9.6538 133.3434 54.7571 41.0029 174.5938 176 K 4.7604 8.2434 118.8975 53.6612 35.2977 175.0613 177 W 4.0486 8.8084 135.0000 58.9955 30.8661 176.0675 178 G 3.0326 5.3800 114.1284 44.9195 0.0000 173.1067 179 T 4.1271 6.9365 116.8608 61.7901 68.4012 174.2820 180 S 4.5544 8.6907 121.8580 58.7177 62.6669 174.3425 181 F 4.1456 9.1605 126.5831 59.6755 38.5223 176.0663 *183 E 4.3121 8.0164 117.4351 55.6607 31.1284 175.9288 184 S 4.5624 7.5011 117.4671 57.7878 64.2462 175.5402 185 N 4.6143 8.1906 120.8002 51.7959 35.6453 176.4484 186 V 3.7646 7.5619 116.7889 61.1604 31.6436 176.4478 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 2 E 8.30 4.34 0.00 2.02 1.92 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 2.37 2.32 0.00 3 F 8.94 3.85 0.00 3.32 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 4 Y 9.43 4.36 0.00 3.11 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 5 E 8.69 3.81 0.00 2.20 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 2.54 2.44 0.00 6 V 7.58 3.51 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 0.96 0.00 0.00 0.92 0.00 0.00 7 I 7.04 3.62 2.06 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.70 0.97 0.00 0.00 8 K 7.87 4.02 0.00 1.51 1.70 0.00 1.26 0.00 0.00 1.30 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.16 1.01 7.81 9 K 7.90 4.10 0.00 1.76 1.83 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.40 7.81 10 R 7.19 3.96 0.00 1.96 1.85 0.00 3.43 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 11 K 8.15 4.67 0.00 1.84 1.71 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.29 1.44 7.81 12 S 8.59 4.54 0.00 3.93 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.52 4.44 1.80 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 1.48 0.81 0.16 0.00 0.00 14 K 8.40 4.63 0.00 1.67 1.82 0.00 1.82 0.00 0.00 1.79 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.37 7.81 15 K 7.29 4.66 0.00 1.52 1.58 0.00 1.56 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.38 7.81 16 F 8.68 5.32 0.00 3.05 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 17 E 9.33 4.52 0.00 1.91 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.46 0.00 18 Q 8.85 4.21 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.72 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 19 T 7.90 3.72 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 20 A 8.46 4.14 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 21 I 7.95 3.82 1.74 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 0.63 0.00 0.00 22 D 9.35 4.62 0.00 2.81 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.79 3.99 0.00 1.95 2.00 0.00 3.24 0.00 0.00 3.44 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.95 0.00 24 D 8.12 4.40 0.00 2.94 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 25 K 8.05 4.00 0.00 2.21 2.09 0.00 1.66 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.55 1.56 7.81 26 L 8.13 3.89 0.00 1.67 1.83 0.70 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.14 3.98 0.00 1.75 1.71 1.04 0.88 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 28 K 7.92 3.97 0.00 1.93 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.67 7.81 29 I 7.56 3.82 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.62 0.81 0.00 0.00 30 I 7.47 3.65 1.76 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.49 0.85 0.00 0.00 31 D 7.93 4.40 0.00 2.73 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 *33 A 7.99 4.06 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 *35 R 8.11 4.17 0.00 1.90 2.06 0.00 3.24 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.79 0.00 36 A 7.79 4.17 1.19 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 0.00 0.00 37 P 0.00 4.58 0.00 2.25 2.10 0.00 3.76 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 2.01 0.00 38 S 8.14 4.92 0.00 4.30 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 39 W 10.03 4.14 0.00 3.38 3.32 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 40 K 8.61 3.19 0.00 1.26 1.43 0.00 0.66 0.00 0.00 1.19 0.00 0.00 2.30 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.56 0.21 7.81 41 N 7.85 4.36 0.00 2.78 2.83 0.00 0.00 6.99 7.69 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 42 K 7.72 4.39 0.00 1.97 1.80 0.00 1.89 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.55 7.81 43 T 7.86 4.21 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 0.31 0.00 0.00 44 P 0.00 4.95 0.00 2.35 2.36 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.09 0.00 45 Y 6.64 5.44 0.00 2.73 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 46 K 9.18 4.80 0.00 1.81 1.48 0.00 1.36 0.00 0.00 0.91 0.00 0.00 2.55 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.33 1.50 7.81 47 F 8.94 5.38 0.00 2.98 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 48 I 8.86 4.93 2.03 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.18 1.07 0.00 0.00 49 V 9.14 4.23 2.27 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 1.02 0.00 0.00 0.62 0.00 0.00 50 V 9.05 4.64 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 0.82 0.00 0.00 0.96 0.00 0.00 51 E 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0.00 0.00 0.00 0.00 1.22 0.00 0.00 68 S 8.44 4.50 0.00 4.09 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.69 3.97 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 70 A 7.98 4.01 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 71 S 8.12 4.11 0.00 4.07 3.96 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 72 E 8.61 4.05 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 73 A 8.20 4.30 1.61 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 0.00 0.00 74 V 7.64 3.55 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 0.87 0.00 0.00 0.94 0.00 0.00 75 L 7.91 4.17 0.00 1.86 1.73 0.94 0.91 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 76 N 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0.00 0.81 0.00 0.00 -0.40 0.00 0.00 94 S 9.67 3.43 0.00 3.98 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 95 G 8.33 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.55 4.44 0.00 1.79 1.57 0.00 1.61 0.00 0.00 1.60 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.28 1.48 7.81 97 E 8.37 4.65 0.00 1.80 1.78 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 2.54 2.53 0.00 98 I 8.11 3.64 1.86 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.02 1.01 0.00 0.00 99 Y 8.13 4.31 0.00 3.29 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 0.00 100 L 6.80 3.66 0.00 1.51 1.51 0.68 0.47 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 0.00 101 I 7.50 3.67 2.01 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 1.59 0.77 0.94 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 128 N 9.22 4.57 0.00 2.98 2.86 0.00 0.00 7.16 7.45 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 0.00 129 E 8.85 4.14 0.00 2.32 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 2.43 2.55 0.00 130 N 8.28 4.32 0.00 2.96 2.85 0.00 0.00 7.16 8.29 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 0.00 131 K 8.38 3.99 0.00 1.96 1.86 0.00 1.69 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.64 7.81 132 I 7.64 3.71 1.66 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.56 0.72 0.00 0.00 133 K 8.26 3.91 0.00 1.90 1.92 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.57 7.81 134 E 8.49 3.91 0.00 2.12 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 2.45 0.00 135 A 7.89 3.87 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 0.00 136 L 8.01 4.39 0.00 1.72 1.76 0.92 1.04 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 0.00 137 K 7.41 3.89 0.00 1.78 1.92 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.40 7.81 138 I 7.72 3.85 1.68 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.48 0.35 0.00 0.00 139 P 0.00 4.11 0.00 2.02 1.90 0.00 2.48 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.05 0.00 140 D 8.49 4.41 0.00 2.56 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 0.00 141 N 7.92 4.47 0.00 2.81 2.86 0.00 0.00 6.02 7.79 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 0.00 142 L 7.30 4.47 0.00 1.40 1.46 0.17 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.45 4.80 0.00 1.57 1.86 0.00 3.22 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.44 0.00 144 V 9.21 4.24 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 0.43 0.00 0.00 0.85 0.00 0.00 145 V 9.04 4.12 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 0.95 0.00 0.00 1.21 0.00 0.00 146 A 7.92 5.26 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 0.00 147 L 8.94 5.15 0.00 1.81 1.67 0.95 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 148 T 8.90 5.27 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 1.01 0.00 0.00 149 P 0.00 4.57 0.00 1.58 2.13 0.00 3.92 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 2.18 2.10 0.00 150 L 7.51 4.71 0.00 1.38 1.25 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 151 G 8.19 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.27 4.42 2.23 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 1.08 0.00 0.00 1.18 0.00 0.00 153 P 0.00 4.66 0.00 1.93 1.81 0.00 3.80 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.21 0.00 154 K 8.33 4.26 0.00 1.56 1.72 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.63 1.34 7.81 155 D 8.99 4.48 0.00 2.65 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 8.07 3.97 0.00 3.82 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 *164 P 0.00 4.09 0.00 2.06 2.07 0.00 3.66 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 1.91 2.06 0.00 165 K 8.23 4.11 0.00 1.72 1.74 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.41 7.81 166 K 8.44 4.24 0.00 1.71 1.68 0.00 1.52 0.00 0.00 1.08 0.00 0.00 2.81 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.35 7.81 167 D 8.38 4.66 0.00 2.80 2.63 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 *169 D 8.63 4.54 0.00 2.86 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 0.00 170 E 8.25 3.97 0.00 2.04 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 2.26 2.15 0.00 171 Y 7.59 4.56 0.00 2.98 2.92 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 0.00 172 L 7.41 4.98 0.00 1.72 1.46 0.85 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 173 Y 9.01 5.60 0.00 2.93 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 I 8.62 4.94 2.12 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.66 0.99 0.00 0.00 175 D 9.65 4.85 0.00 2.90 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 K 8.24 4.76 0.00 1.70 1.56 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.29 1.37 7.81 177 W 8.81 4.05 0.00 3.35 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 0.00 178 G 5.38 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 0.00 0.00 0.00 179 T 6.94 4.13 4.44 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 1.19 0.00 0.00 180 S 8.69 4.55 0.00 3.87 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 0.00 181 F 9.16 4.15 0.00 3.13 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 *183 E 8.02 4.31 0.00 2.01 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 2.21 2.53 0.00 184 S 7.50 4.56 0.00 3.68 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 0.00 185 N 8.19 4.61 0.00 2.74 2.64 0.00 0.00 6.77 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 0.00 186 V 7.56 3.76 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 0.20 0.00 0.00 0.62 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.