NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 R 4.3918 8.0976 119.0729 55.4354 31.6889 175.7956 4 P 4.2044 0.0000 0.0000 65.0370 31.3223 174.9171 5 E 3.9304 8.7998 119.9504 59.0337 30.0236 179.8994 6 S 4.0334 7.6873 114.0967 61.3639 62.8344 176.1907 7 E 3.9523 8.0390 121.6018 58.8047 29.4454 178.6341 8 L 4.0211 7.7185 119.0681 57.6869 41.6668 179.4530 9 I 3.3261 7.5967 119.6471 64.3478 36.8190 178.7784 10 R 4.1013 8.3178 121.5742 60.0695 29.7005 179.7994 11 Q 4.1418 8.0013 119.5853 60.2462 28.1461 180.2922 12 S 4.6884 8.2292 115.2848 61.1301 63.5691 176.1656 13 W 4.6389 8.8098 132.0049 60.1160 30.0793 177.9759 14 R 3.8884 7.9015 118.4712 59.4082 29.3299 179.0119 15 V 3.3720 7.6067 115.8963 65.8532 31.8901 177.7714 16 V 2.8959 7.2332 117.6491 65.7131 31.1748 178.0770 17 S 3.6971 7.0018 112.4316 61.0285 62.7607 176.3022 18 R 4.1100 7.1420 121.1728 57.7771 31.3742 177.0989 19 S 4.6352 7.7725 112.9036 54.8920 62.9520 172.5714 20 P 4.1762 0.0000 0.0000 66.4159 31.4552 178.5243 21 L 3.8951 7.7873 119.6257 57.9378 42.0465 178.2966 22 E 3.9102 8.1860 118.0718 60.0618 29.5057 179.1581 23 H 4.2263 8.1797 115.8586 58.7357 28.7226 178.1505 24 G 3.7843 8.5872 107.7023 47.4931 0.0000 175.9863 25 T 3.9454 8.2330 118.6947 66.6783 68.5012 176.4008 26 V 3.5917 7.4514 120.1239 66.0339 31.4111 177.6258 27 L 3.8189 7.7488 119.4661 58.4252 41.9387 179.0792 28 F 3.6321 8.5212 117.6207 59.9371 38.8115 177.5222 29 A 4.0785 8.6088 120.9976 55.2956 18.2723 179.6964 30 R 3.5378 7.8590 116.9843 59.2421 30.1082 178.1775 31 L 3.8255 7.6338 121.7242 57.6941 41.7676 179.1584 32 F 4.6453 7.6058 115.3922 60.1741 38.9092 177.3710 33 A 4.1584 7.9012 120.2126 54.9129 18.1732 179.2322 34 L 4.2727 7.6519 116.5961 56.4461 43.3867 177.4495 35 E 4.7263 8.3325 119.2954 52.6752 30.2580 173.2659 36 P 4.4503 0.0000 0.0000 64.9295 31.5600 177.3521 37 S 4.3728 8.0253 110.9474 60.1695 63.3536 175.5499 38 L 4.3396 8.2772 123.2000 56.8912 41.4998 178.4023 39 L 3.5624 7.8720 121.0458 57.8768 41.6990 177.3284 40 P 4.3355 0.0000 0.0000 64.8927 31.2999 178.0533 41 L 4.1959 7.9460 117.1421 55.8052 42.2682 177.3316 42 F 4.4174 7.8839 118.1967 55.6181 37.7203 173.6395 43 Q 4.3937 7.4821 121.6038 52.7331 31.5302 174.9746 44 Y 4.6381 7.5941 121.6607 57.9224 41.2316 175.8958 45 N 4.0810 9.6796 119.7290 53.3813 35.0677 172.3888 46 G 4.0299 8.3398 103.5890 47.1582 0.0000 174.2931 47 R 4.5584 7.5773 117.1332 53.8263 32.9467 174.6879 48 Q 4.2798 8.0474 121.0803 53.8850 30.6631 175.4472 49 F 4.4704 7.8597 123.8817 57.7613 39.6309 175.5748 50 S 4.2722 9.0913 122.4854 61.0130 63.0244 174.4732 51 S 4.7869 8.6875 113.6579 55.2801 66.1032 172.9170 52 P 3.9766 0.0000 0.0000 65.7628 31.4701 178.7471 53 E 4.0341 8.0371 115.9945 58.9906 29.4285 178.5498 54 D 4.3398 7.7643 120.6627 57.3970 40.8717 178.8786 55 S 2.7900 7.0507 114.0665 60.5940 62.5574 176.5510 56 L 4.1237 7.1610 120.9690 56.9359 41.4635 177.8325 57 S 4.4653 7.5508 111.4530 58.1605 63.5921 174.1142 58 S 4.6784 7.8546 117.2461 56.3959 63.4811 172.0859 59 P 4.2184 0.0000 0.0000 66.0831 31.1335 178.2982 60 E 3.7613 7.9599 116.4210 59.2449 29.2958 179.0758 61 F 4.2711 8.0775 120.6018 61.1408 39.4552 177.2281 62 L 3.7434 8.0430 118.5870 57.8402 41.7109 178.9610 63 D 4.4695 8.4428 117.6090 56.0733 40.6686 177.8104 64 H 4.1190 8.4781 120.4794 59.2291 29.6445 177.0220 65 I 3.3489 7.1699 121.5403 64.3422 36.9332 178.3624 66 R 3.9262 7.7573 118.7695 59.4087 29.8536 179.3323 67 K 4.0473 7.9305 117.7291 59.2852 32.0271 179.5577 68 V 3.7223 7.7945 118.6068 66.5050 31.4477 178.1128 69 M 4.3974 8.4343 118.4243 58.1260 31.6977 178.5626 70 L 4.0602 8.1442 120.8984 58.1544 42.2842 179.2152 71 V 3.6322 7.9715 118.3173 65.9816 31.3921 178.0593 72 I 3.6775 8.0849 119.7280 64.3578 36.8326 177.8031 73 D 4.1445 8.5076 118.7721 57.1226 41.0088 178.0667 74 A 3.9332 8.2644 121.1641 55.3349 18.2132 179.3985 75 A 3.8641 7.7954 117.6480 55.2874 18.4179 179.7942 76 V 3.3798 7.4620 116.1523 66.3943 31.6501 178.1389 77 T 4.0357 7.9801 114.5960 65.6993 68.2802 175.3332 78 N 4.9732 8.2402 118.7672 52.9624 39.7428 177.8020 79 V 3.4021 7.6964 121.9307 64.5058 32.2144 177.2710 80 E 3.9313 8.2311 121.7350 59.3128 29.4745 177.1049 81 D 4.5215 7.5027 116.9472 51.9344 42.1651 177.6549 82 L 4.4031 8.4111 125.8775 54.7242 42.7069 179.3519 83 S 4.0194 8.3644 114.1971 61.5361 62.4887 176.5144 84 S 4.3342 8.0605 112.5220 59.2676 63.1005 173.8776 85 L 4.6943 8.7788 125.2259 55.1745 43.8562 178.3619 86 E 4.0549 7.9559 118.2110 61.7212 29.5247 184.5166 87 E 4.1697 8.1398 118.7792 59.3782 29.6452 178.4001 88 Y 4.1178 8.0814 119.0034 60.9360 38.7922 178.0670 89 L 3.8243 7.8469 119.3010 58.1480 41.8453 179.7310 90 T 4.0480 8.2688 117.1361 65.9723 68.3732 176.8937 91 S 4.0165 7.8367 115.6923 61.3019 63.2065 175.9031 92 L 3.8576 7.8488 125.0188 57.8691 41.6513 179.1565 93 G 4.4199 8.7519 107.5332 47.4489 0.0000 175.7469 94 R 3.8146 7.6509 120.0709 58.8294 29.8873 178.9257 95 K 3.7651 7.7299 117.9567 59.8121 32.3375 178.3145 96 H 4.1892 7.7417 115.7995 58.8753 28.6910 177.6483 97 R 3.2295 6.6469 120.0722 59.1504 29.3602 178.3717 98 A 4.0424 7.4387 119.4410 54.2193 18.3171 178.9343 99 V 4.1303 7.1599 109.0536 61.0908 31.9791 176.9642 100 G 3.9373 7.5448 105.5233 45.0037 0.0000 174.3141 101 V 3.8609 7.4516 119.5663 62.4645 32.4371 175.3764 102 R 4.6809 8.4529 125.8406 54.9519 31.7522 177.1486 103 L 3.6950 8.5165 122.3153 58.1947 41.1287 179.9643 104 S 4.3316 7.9571 112.5765 60.7025 63.0661 176.0231 105 S 4.0453 7.9712 118.8281 60.6257 62.4012 176.1743 106 F 4.3307 8.1434 121.5739 60.4036 38.5093 177.5330 107 S 4.2486 7.8744 113.7963 61.9384 62.7678 176.7565 108 T 3.8210 7.9159 118.9826 66.2207 68.1430 176.6843 109 V 3.5940 7.7535 120.5337 65.7735 31.4908 178.3811 110 G 2.5584 8.2442 105.7563 47.5101 0.0000 175.5782 111 E 3.9384 8.3569 121.4482 59.1416 28.8855 179.7256 112 S 4.0120 8.0893 115.3843 61.0911 62.7526 176.2149 113 L 3.7962 7.8340 123.2553 58.2605 41.7941 178.9880 114 L 3.8268 7.9734 119.0352 57.8616 41.4868 178.9132 115 Y 3.8494 8.1072 119.4250 60.8994 38.7802 177.7854 116 M 3.7461 8.0844 118.9504 58.5491 32.2392 178.1438 117 L 3.5810 7.6429 119.1221 57.5236 41.6678 179.0299 118 E 2.9418 7.2170 119.3761 58.9809 29.2622 179.0777 119 K 3.6735 7.4190 117.4586 59.1677 32.0170 179.1296 120 S 4.1167 7.5968 112.6785 61.3711 62.5669 175.8578 121 L 4.1946 8.3086 121.9922 54.0762 41.8805 178.9285 122 G 3.8686 8.8153 106.7729 45.9015 0.0000 175.8659 123 P 4.3279 0.0000 0.0000 65.1207 31.0834 176.6035 124 D 4.5766 7.8584 115.7125 55.2775 41.1994 176.8353 125 F 4.7390 7.9143 124.6623 56.8883 38.0708 175.5508 126 T 4.0632 7.2756 113.8302 60.6830 70.0661 174.2603 127 P 4.0894 0.0000 0.0000 65.9463 31.1009 178.7549 128 A 3.9267 7.8643 118.9123 55.3497 18.3378 179.5856 129 T 3.7578 7.7485 114.1021 66.7270 68.5323 176.4467 130 R 3.7704 7.1596 120.0011 60.0442 29.8789 178.1956 131 T 3.8569 8.0641 114.9397 66.5446 68.3856 176.4677 132 A 4.0706 8.1896 122.6864 55.1353 18.4676 179.7783 133 W 4.1463 8.4129 117.5268 59.9658 29.0960 178.7793 134 S 4.3679 8.5955 113.3628 61.2105 61.8174 176.2506 135 R 3.8726 8.2442 121.5738 59.2203 29.8928 178.1263 136 L 3.8624 8.2084 120.5250 58.4756 42.0089 178.2460 137 Y 4.2130 8.8524 119.8391 60.7565 38.6885 178.3495 138 G 3.5185 8.4915 106.4582 47.5597 0.0000 175.5987 139 A 3.8851 8.0735 123.0503 54.8739 18.4632 179.6262 140 V 3.4155 7.6560 116.8215 66.4185 31.4737 178.5027 141 V 2.8971 7.5049 117.8919 65.3417 30.6167 177.5710 142 Q 3.8257 8.1530 120.6525 58.3952 28.5973 178.4377 143 A 3.9716 7.7048 121.3146 55.6146 18.5368 179.6345 144 M 4.3517 7.9386 117.2453 58.3167 31.9862 179.1531 145 S 4.2071 8.1622 114.8453 61.1200 62.8335 176.4896 146 R 4.1648 7.5391 120.4351 59.4486 30.0317 178.8493 147 G 3.8577 8.3081 102.6813 46.9340 0.0000 173.1347 148 W 4.2116 8.4512 125.2615 56.9991 29.1300 175.9600 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 *3 R 8.10 4.39 0.00 1.71 1.86 0.00 3.15 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.69 0.00 4 P 0.00 4.20 0.00 2.31 2.32 0.00 3.63 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 2.04 2.06 0.00 5 E 8.80 3.93 0.00 2.00 1.90 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 2.29 2.34 0.00 6 S 7.69 4.03 0.00 3.97 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 7 E 8.04 3.95 0.00 2.06 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 0.00 2.37 2.46 0.00 8 L 7.72 4.02 0.00 1.85 1.71 0.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.60 3.33 1.66 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.23 0.17 0.00 0.00 10 R 8.32 4.10 0.00 1.86 2.04 0.00 3.13 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 1.66 1.74 0.00 11 Q 8.00 4.14 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 12 S 8.23 4.69 0.00 4.45 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 W 8.81 4.64 0.00 3.93 3.43 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 14 R 7.90 3.89 0.00 2.08 1.99 0.00 3.18 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.99 0.00 15 V 7.61 3.37 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 0.77 0.00 0.00 0.92 0.00 0.00 16 V 7.23 2.90 1.15 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 0.36 0.00 0.00 0.71 0.00 0.00 17 S 7.00 3.70 0.00 3.91 3.05 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 18 R 7.14 4.11 0.00 1.76 1.98 0.00 3.06 0.00 0.00 3.24 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.81 0.00 19 S 7.77 4.64 0.00 4.01 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 20 P 0.00 4.18 0.00 2.30 2.32 0.00 3.66 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 21 L 7.79 3.90 0.00 1.75 1.67 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.19 3.91 0.00 2.10 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 2.35 2.38 0.00 23 H 8.18 4.23 0.00 3.16 3.26 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.59 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 25 T 8.23 3.95 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 26 V 7.45 3.59 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 1.08 0.00 0.00 0.96 0.00 0.00 27 L 7.75 3.82 0.00 1.71 1.71 0.84 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.52 3.63 0.00 3.11 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.61 4.08 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 30 R 7.86 3.54 0.00 1.62 1.97 0.00 2.66 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.30 0.00 31 L 7.63 3.83 0.00 1.46 1.27 0.84 1.05 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 32 F 7.61 4.65 0.00 3.12 3.01 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 0.00 0.00 0.00 33 A 7.90 4.16 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.65 4.27 0.00 1.78 1.69 0.78 0.63 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 35 E 8.33 4.73 0.00 2.02 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 2.40 0.00 36 P 0.00 4.45 0.00 2.22 2.11 0.00 3.69 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 2.14 2.18 0.00 37 S 8.03 4.37 0.00 4.05 4.02 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 38 L 8.28 4.34 0.00 2.23 2.19 1.07 0.40 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 39 L 7.87 3.56 0.00 1.34 1.62 -0.11 0.54 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 40 P 0.00 4.34 0.00 2.03 2.06 0.00 3.85 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 41 L 7.95 4.20 0.00 1.43 1.39 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.88 4.42 0.00 3.25 3.37 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 43 Q 7.48 4.39 0.00 1.73 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.69 0.00 0.00 0.00 0.00 0.00 2.09 2.25 0.00 44 Y 7.59 4.64 0.00 3.01 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 45 N 9.68 4.08 0.00 2.89 2.74 0.00 0.00 6.75 7.51 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 46 G 8.34 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 0.00 0.00 0.00 47 R 7.58 4.56 0.00 1.88 1.68 0.00 3.08 0.00 0.00 3.07 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.64 0.00 48 Q 8.05 4.28 0.00 1.89 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 49 F 7.86 4.47 0.00 2.95 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 50 S 9.09 4.27 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 51 S 8.69 4.79 0.00 3.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 P 0.00 3.98 0.00 2.21 2.28 0.00 3.55 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 53 E 8.04 4.03 0.00 2.13 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 2.32 2.32 0.00 54 D 7.76 4.34 0.00 2.75 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 55 S 7.05 2.79 0.00 2.72 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 56 L 7.16 4.12 0.00 1.95 1.79 0.96 1.01 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 57 S 7.55 4.47 0.00 3.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.85 4.68 0.00 4.28 4.08 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 59 P 0.00 4.22 0.00 2.16 2.09 0.00 3.68 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 60 E 7.96 3.76 0.00 1.16 1.12 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 2.21 2.27 0.00 61 F 8.08 4.27 0.00 3.44 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 62 L 8.04 3.74 0.00 1.83 1.63 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.44 4.47 0.00 2.74 2.68 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 64 H 8.48 4.12 0.00 3.27 3.23 0.00 5.59 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.17 3.35 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 0.33 -0.36 0.94 0.00 0.00 66 R 7.76 3.93 0.00 1.96 1.98 0.00 3.10 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.82 0.00 67 K 7.93 4.05 0.00 1.97 1.91 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.48 1.71 7.81 68 V 7.79 3.72 2.39 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 1.30 0.00 0.00 1.01 0.00 0.00 69 M 8.43 4.40 0.00 2.27 2.21 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.98 0.00 70 L 8.14 4.06 0.00 1.91 1.88 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.97 3.63 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 1.23 0.00 0.00 1.15 0.00 0.00 72 I 8.08 3.68 2.04 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 1.53 0.89 0.31 0.00 0.00 73 D 8.51 4.14 0.00 3.37 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 74 A 8.26 3.93 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.80 3.86 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 V 7.46 3.38 1.74 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 0.81 0.00 0.00 0.17 0.00 0.00 77 T 7.98 4.04 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 78 N 8.24 4.97 0.00 2.83 2.96 0.00 0.00 6.74 7.29 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 79 V 7.70 3.40 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 0.62 0.00 0.00 0.74 0.00 0.00 80 E 8.23 3.93 0.00 1.95 2.02 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 2.26 2.21 0.00 81 D 7.50 4.52 0.00 2.46 2.41 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 0.00 82 L 8.41 4.40 0.00 1.66 1.70 0.86 0.82 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 83 S 8.36 4.02 0.00 3.99 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 84 S 8.06 4.33 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 85 L 8.78 4.69 0.00 1.66 1.78 0.94 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.96 4.05 0.00 1.98 1.95 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 2.25 2.23 0.00 87 E 8.14 4.17 0.00 2.03 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 0.00 2.42 2.33 0.00 88 Y 8.08 4.12 0.00 3.13 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 89 L 7.85 3.82 0.00 1.89 1.70 0.95 0.72 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 90 T 8.27 4.05 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 1.24 0.00 0.00 91 S 7.84 4.02 0.00 3.99 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.85 3.86 0.00 0.98 1.70 1.00 1.26 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 93 G 8.75 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 R 7.65 3.81 0.00 2.02 1.88 0.00 3.09 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 95 K 7.73 3.77 0.00 1.66 2.03 0.00 1.62 0.00 0.00 1.68 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.41 7.81 96 H 7.74 4.19 0.00 3.42 3.43 0.00 5.88 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 97 R 6.65 3.23 0.00 0.67 1.11 0.00 2.78 0.00 0.00 2.83 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.89 0.00 98 A 7.44 4.04 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 99 V 7.16 4.13 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 0.75 0.00 0.00 0.93 0.00 0.00 100 G 7.54 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.45 3.86 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 0.92 0.00 0.00 1.00 0.00 0.00 102 R 8.45 4.68 0.00 1.95 1.85 0.00 3.25 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 103 L 8.52 3.69 0.00 1.42 1.52 0.60 0.04 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 0.00 104 S 7.96 4.33 0.00 4.06 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 7.97 4.05 0.00 4.05 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 0.00 106 F 8.14 4.33 0.00 3.25 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.87 4.25 0.00 3.92 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 T 7.92 3.82 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 109 V 7.75 3.59 2.38 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 1.19 0.00 0.00 1.00 0.00 0.00 110 G 8.24 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.36 3.94 0.00 2.03 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 2.57 2.48 0.00 112 S 8.09 4.01 0.00 3.75 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 0.00 113 L 7.83 3.80 0.00 1.57 1.63 0.79 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.97 3.83 0.00 1.84 1.77 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 115 Y 8.11 3.85 0.00 3.05 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.08 3.75 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.65 0.00 117 L 7.64 3.58 0.00 1.07 1.12 -0.60 0.69 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 0.00 118 E 7.22 2.94 0.00 1.28 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.34 0.00 119 K 7.42 3.67 0.00 1.26 1.53 0.00 1.38 0.00 0.00 1.18 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.38 0.39 7.81 120 S 7.60 4.12 0.00 3.83 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 0.00 121 L 8.31 4.19 0.00 1.82 1.81 1.20 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 122 G 8.82 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 0.00 0.00 0.00 123 P 0.00 4.33 0.00 2.07 2.15 0.00 3.79 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 124 D 7.86 4.58 0.00 2.82 2.78 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 0.00 125 F 7.91 4.74 0.00 2.88 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 T 7.28 4.06 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 127 P 0.00 4.09 0.00 2.13 2.14 0.00 3.56 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 128 A 7.86 3.93 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 0.00 129 T 7.75 3.76 4.02 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 1.50 0.00 0.00 130 R 7.16 3.77 0.00 1.36 1.93 0.00 3.24 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.95 0.00 131 T 8.06 3.86 4.35 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 1.20 0.00 0.00 132 A 8.19 4.07 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 0.00 133 W 8.41 4.15 0.00 3.67 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 S 8.60 4.37 0.00 4.03 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 R 8.24 3.87 0.00 2.07 2.02 0.00 3.13 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 136 L 8.21 3.86 0.00 1.56 1.68 0.78 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.85 4.21 0.00 3.25 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.49 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 A 8.07 3.89 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 0.00 140 V 7.66 3.42 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 0.95 0.00 0.00 0.95 0.00 0.00 141 V 7.50 2.90 1.55 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 -0.08 0.00 0.00 0.05 0.00 0.00 142 Q 8.15 3.83 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.16 0.00 143 A 7.70 3.97 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 M 7.94 4.35 0.00 2.45 2.09 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.76 0.00 145 S 8.16 4.21 0.00 3.90 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 0.00 146 R 7.54 4.16 0.00 2.06 2.09 0.00 3.18 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.82 0.00 147 G 8.31 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 148 W 8.45 4.21 0.00 3.63 3.05 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 * Residues marked with a * may have inaccurate shift predictions.