NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2598 8.1727 122.0643 56.3189 34.2269 173.9641 2 V 4.6634 8.1984 125.7311 60.9921 32.6361 173.6706 3 Y 4.2928 9.2964 126.8495 57.7386 39.2909 175.4792 4 G 3.9423 8.8147 109.1439 45.5384 0.0000 174.8531 5 R 3.5656 8.9253 120.4021 59.7866 29.9970 179.5759 6 C 4.3439 8.1220 115.4881 59.8803 36.8068 175.5428 7 E 3.8657 8.1147 120.5185 59.1537 29.2724 178.5625 8 L 3.6440 8.0690 120.2132 57.8473 42.1319 178.4659 9 A 3.9213 7.8970 120.5539 55.2669 18.2949 179.3747 10 A 3.8998 8.1603 118.8357 55.2441 18.5606 179.6405 11 A 3.8864 7.8651 119.1023 55.7457 18.4760 179.7757 12 M 3.8243 8.2923 117.5400 58.1801 32.0659 179.0211 13 K 3.8662 8.0179 119.7315 59.6626 32.2320 179.0945 14 R 3.9477 7.7018 116.9038 59.0242 30.0486 178.1571 15 L 4.2837 7.4450 115.5994 54.0068 42.0223 176.6748 16 G 3.7319 7.7501 106.3832 46.7847 0.0000 175.1771 17 L 3.6646 7.7012 120.6434 55.5542 42.1992 176.7243 18 D 4.5359 7.8619 118.1403 55.6148 41.2631 175.2882 19 N 4.5761 9.3112 123.1506 53.7334 36.9422 173.4744 20 Y 4.2932 8.2918 121.3167 59.0023 38.9685 176.4004 21 R 3.4849 8.9633 125.1101 57.2332 27.7531 177.1215 22 G 3.7190 8.2941 103.8376 45.8015 0.0000 173.5623 23 Y 4.5254 7.9560 118.7848 55.7497 38.8661 175.8902 24 S 4.8788 8.6025 119.8556 57.7829 64.3317 174.6861 25 L 4.2944 9.1842 123.8349 58.9548 41.6243 179.8503 26 G 3.9148 8.3412 104.6236 47.8416 0.0000 175.2367 27 N 4.4980 8.4789 118.8607 56.1832 38.5673 177.5239 28 W 3.8132 7.8507 119.9010 59.4254 29.1472 178.7337 29 V 3.5877 7.8826 118.1413 65.9691 30.9361 177.1526 30 C 2.8060 8.1194 118.0462 59.1628 41.8210 175.2589 31 A 3.9430 7.9516 121.9681 55.2976 17.9596 179.4047 32 A 4.0032 7.8376 119.0518 55.0623 18.4242 179.5636 33 K 2.5952 7.6921 118.0587 59.5180 31.8681 179.0218 34 F 4.4329 7.5127 116.0796 59.7261 38.9185 177.6668 35 E 4.2973 8.3710 118.7834 58.6166 29.6419 177.7183 36 S 4.5543 7.7147 109.3575 56.6722 64.4464 173.2886 37 N 3.6262 8.6280 117.9933 55.0423 37.5649 174.1950 38 F 4.0687 8.0423 110.6300 58.0064 36.9875 174.0378 39 N 5.2311 7.9248 120.6682 52.3043 38.9909 175.8019 40 T 4.0965 8.9515 117.5799 64.1533 69.7526 175.0347 41 H 4.8855 8.5420 120.4154 55.6576 30.6381 174.7867 42 A 4.3482 8.0985 120.1949 53.0792 19.3233 177.0680 43 T 4.9356 8.3863 111.2284 59.9803 72.0743 173.1559 44 N 4.9137 8.9311 124.3311 52.0746 42.5662 174.4683 45 R 4.4238 8.6812 124.9494 56.7413 30.2760 172.5071 46 N 4.7900 9.1722 122.0102 51.3368 40.4342 175.7586 47 T 3.9715 8.5136 114.8446 65.4097 67.5797 175.9166 48 D 4.3906 8.0085 116.5062 54.4011 39.0513 176.9722 49 G 3.9171 8.3005 109.4526 45.2117 0.0000 173.8826 50 S 4.7122 8.3171 115.1205 57.9072 65.5544 173.1323 51 T 5.0639 8.8999 115.5153 61.9492 72.8065 172.9428 52 D 5.5069 8.9415 124.7397 53.0487 43.5667 175.0933 53 Y 5.0061 8.9050 120.0895 57.4420 41.9669 177.3589 54 G 4.2727 9.2189 112.7453 45.5236 0.0000 173.3920 55 I 3.8100 8.4354 116.8937 62.8114 37.9190 177.4379 56 L 4.5045 7.9017 116.8272 53.4687 42.4997 176.5092 57 Q 3.4494 7.8966 116.3434 57.0827 26.6169 174.1353 58 I 4.2540 8.0712 119.3667 60.8415 39.2784 176.7403 59 N 5.3413 9.1418 126.2823 53.5561 39.6820 175.4836 60 S 4.8516 9.1909 120.7537 59.7334 63.3094 175.0373 61 R 3.9979 9.3547 122.1767 57.6666 30.7233 177.9031 62 W 4.0324 8.4398 117.5038 56.7625 31.2104 177.0637 63 W 4.9552 8.5501 117.5801 57.3944 30.9373 173.9396 64 C 5.4492 8.1935 112.3704 53.6796 46.6306 172.3098 65 N 5.2395 8.9956 118.9244 52.0394 40.2166 174.7198 66 D 4.6149 9.0223 124.3001 52.6770 40.4387 177.1244 67 G 3.9709 9.3146 108.4692 46.0081 0.0000 174.6909 68 R 4.5560 8.3639 112.5666 56.2988 30.7040 174.6130 69 T 4.4594 7.7599 115.2705 61.3181 69.7518 172.5296 70 P 4.1504 0.0000 0.0000 63.7093 31.8799 176.6303 71 G 3.6845 8.5418 111.2916 46.4946 0.0000 173.8452 72 S 4.3086 7.9070 113.6388 57.6923 63.0227 173.7742 73 K 3.8728 8.4198 127.3610 56.9267 33.1743 176.5243 74 N 4.0105 7.6543 117.5273 54.5900 37.3889 174.9149 75 L 4.1616 8.1931 119.1728 57.6378 42.4123 178.4597 76 C 4.4986 8.5931 114.6122 56.8968 41.1230 172.6911 77 N 4.2638 7.8080 117.5518 53.5254 37.0609 173.0965 78 I 4.5687 6.8058 111.4472 58.8665 41.1701 172.9861 79 P 4.7714 0.0000 0.0000 62.5724 32.2597 178.0862 80 C 4.0408 8.6621 119.1940 60.0858 38.9968 176.6509 81 S 3.9218 7.8957 115.0891 61.3399 62.1241 176.2120 82 A 4.1037 7.7810 123.1224 54.1569 18.1807 178.5250 83 L 4.3498 7.9455 116.0668 55.3313 42.0201 177.1453 84 L 4.7495 7.4487 118.6446 54.3666 41.8118 176.5400 85 S 4.7033 7.6757 113.9739 56.7526 64.5264 174.4733 86 S 4.2576 8.5113 115.4677 60.8875 62.9494 174.0606 87 D 4.5974 7.6902 121.8586 53.5942 41.1776 176.3382 88 I 4.0630 8.3474 119.7706 61.7007 37.9445 177.4335 89 T 3.7416 8.1900 119.0396 67.1636 68.3523 175.9278 90 A 3.9714 7.9062 121.7607 55.2833 18.3795 179.6582 91 S 4.0742 7.9646 113.1887 61.7594 62.8710 176.9846 92 V 3.3683 7.8959 121.0422 65.8803 30.9297 177.8922 93 N 4.1630 8.1741 116.3772 56.3635 38.2741 176.6431 94 C 4.2651 8.2313 119.7690 59.4698 44.9015 175.4174 95 A 4.0806 8.3257 122.8640 55.0717 17.8728 179.6051 96 K 3.5426 8.0837 117.2979 59.4306 31.7992 179.6455 97 K 4.0061 7.3493 117.2394 59.6482 32.3060 179.1196 98 I 3.1655 7.6815 120.0162 63.9844 36.7725 177.8881 99 A 4.5308 8.3697 120.2929 53.5424 18.3764 179.0421 100 S 4.4597 7.8879 111.8998 59.2526 63.7446 175.0050 101 G 3.8492 7.4425 112.2124 45.0416 0.0000 174.9025 102 G 3.7177 8.6518 109.1971 48.1350 0.0000 174.2832 103 N 4.6800 8.3112 115.4576 52.4315 39.9397 176.2198 104 G 4.0075 7.8388 109.0396 45.7195 0.0000 176.7784 105 M 3.9338 8.2227 122.6567 56.8089 31.4966 177.8533 106 N 4.6943 7.8342 115.9578 55.6499 38.8054 176.1805 107 A 3.7646 7.2867 119.3004 53.7511 18.6696 177.7830 108 W 4.5031 8.0334 116.9912 55.1125 30.1950 177.0909 109 V 3.6515 8.5255 124.4062 66.1204 31.0543 177.6482 110 A 4.0187 8.6125 120.4497 54.7015 18.1012 179.4283 111 W 3.9162 8.3062 126.4376 60.5886 30.6969 177.7300 112 R 3.5673 7.9572 117.1598 59.6269 29.5376 177.9175 113 N 4.3554 8.0199 114.4112 55.9888 38.8148 177.0056 114 R 4.1372 8.0045 116.5011 56.1944 31.3742 176.3963 115 C 4.5645 7.3169 115.1466 57.8640 41.9721 174.1795 116 K 3.4264 6.5980 119.9979 57.6951 31.7705 176.5454 117 G 3.8164 8.7799 113.1464 46.1267 0.0000 172.6775 118 T 4.5262 7.4085 109.6261 59.4676 71.4096 175.6609 119 D 4.6912 8.1802 120.4107 53.5853 38.7710 176.4052 120 V 4.1253 7.9253 117.0857 63.6393 32.0917 177.0579 121 H 4.3709 8.4295 115.5206 58.2938 28.0157 177.1378 122 A 3.9858 8.0784 122.9627 54.7091 17.8586 179.5414 123 W 4.1720 8.0683 116.9180 58.5319 29.2736 176.9716 124 I 4.5110 7.6947 110.4263 60.0184 37.8399 175.2410 125 R 3.9653 7.4301 121.5878 57.9702 30.1612 176.7915 126 G 3.9067 8.9351 112.6461 45.7911 0.0000 173.8304 127 C 4.6255 7.6985 119.3068 55.7305 41.6840 174.6867 *128 R 4.1277 8.5467 117.9733 57.0143 28.8260 175.9214 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 1 K 8.17 4.26 0.00 1.83 1.77 0.00 1.45 0.00 0.00 0.93 0.00 0.00 2.56 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.24 7.81 2 V 8.20 4.66 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 1.00 0.00 0.00 3 Y 9.30 4.29 0.00 2.71 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 4 G 8.81 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 5 R 8.93 3.57 0.00 2.21 2.07 0.00 3.59 0.00 0.00 3.71 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.12 0.00 6 C 8.12 4.34 0.00 3.02 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 7 E 8.11 3.87 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.40 0.00 8 L 8.07 3.64 0.00 1.39 1.27 0.27 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 9 A 7.90 3.92 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 10 A 8.16 3.90 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 11 A 7.87 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 12 M 8.29 3.82 0.00 1.87 2.27 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.32 0.00 13 K 8.02 3.87 0.00 1.93 1.92 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.47 7.81 14 R 7.70 3.95 0.00 1.97 1.94 0.00 3.19 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.80 0.00 15 L 7.44 4.28 0.00 1.55 1.51 0.80 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.75 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.70 3.66 0.00 1.35 0.53 0.23 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.86 4.54 0.00 2.65 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 19 N 9.31 4.58 0.00 3.08 3.00 0.00 0.00 6.22 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 20 Y 8.29 4.29 0.00 3.09 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 21 R 8.96 3.48 0.00 2.18 2.10 0.00 3.33 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 1.60 0.00 22 G 8.29 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.96 4.53 0.00 3.42 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 24 S 8.60 4.88 0.00 4.10 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 25 L 9.18 4.29 0.00 2.03 1.86 0.96 1.05 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 26 G 8.34 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 27 N 8.48 4.50 0.00 2.70 2.55 0.00 0.00 6.89 7.24 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 28 W 7.85 3.81 0.00 3.44 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 29 V 7.88 3.59 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 1.25 0.00 0.00 0.97 0.00 0.00 30 C 8.12 2.81 0.00 2.69 3.11 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 31 A 7.95 3.94 1.06 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 0.00 0.00 32 A 7.84 4.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.69 2.60 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.77 0.00 0.00 2.94 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.30 0.21 7.81 34 F 7.51 4.43 0.00 3.01 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 35 E 8.37 4.30 0.00 1.98 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 2.56 2.51 0.00 36 S 7.71 4.55 0.00 4.14 4.18 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 37 N 8.63 3.63 0.00 2.76 2.85 0.00 0.00 7.15 6.78 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 38 F 8.04 4.07 0.00 3.33 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 39 N 7.92 5.23 0.00 2.79 2.90 0.00 0.00 6.98 8.42 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 40 T 8.95 4.10 4.52 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 1.49 0.00 0.00 41 H 8.54 4.89 0.00 3.24 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 42 A 8.10 4.35 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 43 T 8.39 4.94 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 1.29 0.00 0.00 44 N 8.93 4.91 0.00 2.71 2.69 0.00 0.00 6.83 7.03 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 45 R 8.68 4.42 0.00 1.60 1.72 0.00 3.25 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 46 N 9.17 4.79 0.00 2.81 2.83 0.00 0.00 6.99 8.16 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 47 T 8.51 3.97 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 1.23 0.00 0.00 48 D 8.01 4.39 0.00 2.84 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.30 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 50 S 8.32 4.71 0.00 3.98 4.04 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 51 T 8.90 5.06 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 0.46 0.00 0.00 52 D 8.94 5.51 0.00 2.70 2.65 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 0.00 0.00 0.00 53 Y 8.91 5.01 0.00 2.99 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 54 G 9.22 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 I 8.44 3.81 1.89 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.76 0.85 0.00 0.00 56 L 7.90 4.50 0.00 1.69 1.80 0.60 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.90 3.45 0.00 2.42 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 6.82 0.00 0.00 0.00 0.00 0.00 2.50 2.67 0.00 58 I 8.07 4.25 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.05 1.09 0.00 0.00 59 N 9.14 5.34 0.00 3.09 3.09 0.00 0.00 6.98 7.63 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 60 S 9.19 4.85 0.00 4.07 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 0.00 61 R 9.35 4.00 0.00 1.77 1.89 0.00 2.92 0.00 0.00 2.91 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 1.24 0.00 62 W 8.44 4.03 0.00 2.70 1.89 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 63 W 8.55 4.96 0.00 3.50 3.25 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 64 C 8.19 5.45 0.00 3.12 3.22 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 65 N 9.00 5.24 0.00 2.83 2.68 0.00 0.00 7.18 8.71 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 66 D 9.02 4.61 0.00 2.81 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 67 G 9.31 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 68 R 8.36 4.56 0.00 1.91 1.96 0.00 3.03 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 69 T 7.76 4.46 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 70 P 0.00 4.15 0.00 1.99 1.96 0.00 3.78 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 2.00 2.06 0.00 71 G 8.54 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 72 S 7.91 4.31 0.00 3.83 3.71 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 73 K 8.42 3.87 0.00 1.68 1.69 0.00 1.07 0.00 0.00 1.48 0.00 0.00 2.57 0.00 0.00 2.15 0.00 0.00 0.00 0.00 1.20 0.91 7.81 74 N 7.65 4.01 0.00 2.74 2.72 0.00 0.00 7.03 6.61 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 75 L 8.19 4.16 0.00 1.69 1.93 0.93 0.83 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 76 C 8.59 4.50 0.00 3.38 3.23 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 0.00 77 N 7.81 4.26 0.00 2.90 2.84 0.00 0.00 6.94 7.26 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 78 I 6.81 4.57 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.27 0.92 0.00 0.00 79 P 0.00 4.77 0.00 2.18 2.17 0.00 3.68 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 2.04 1.96 0.00 80 C 8.66 4.04 0.00 2.15 1.51 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 81 S 7.90 3.92 0.00 4.01 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 0.00 82 A 7.78 4.10 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 83 L 7.95 4.35 0.00 1.78 1.79 1.00 0.86 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 84 L 7.45 4.75 0.00 1.72 1.42 1.05 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.68 4.70 0.00 4.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.51 4.26 0.00 4.00 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 87 D 7.69 4.60 0.00 2.64 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 88 I 8.35 4.06 1.69 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.29 0.61 0.00 0.00 89 T 8.19 3.74 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 1.15 0.00 0.00 90 A 7.91 3.97 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 91 S 7.96 4.07 0.00 3.98 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 92 V 7.90 3.37 1.89 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 0.75 0.00 0.00 0.72 0.00 0.00 93 N 8.17 4.16 0.00 2.86 2.79 0.00 0.00 6.65 7.28 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 94 C 8.23 4.27 0.00 3.03 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 95 A 8.33 4.08 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 96 K 8.08 3.54 0.00 1.67 1.46 0.00 1.25 0.00 0.00 0.84 0.00 0.00 2.25 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.98 7.81 97 K 7.35 4.01 0.00 1.87 1.96 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.64 7.81 98 I 7.68 3.17 1.61 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.23 -0.16 0.00 0.00 99 A 8.37 4.53 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.89 4.46 0.00 4.11 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 0.00 101 G 7.44 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 0.00 0.00 0.00 102 G 8.65 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.31 4.68 0.00 2.73 2.85 0.00 0.00 7.14 7.60 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 0.00 104 G 7.84 4.01 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 0.00 0.00 0.00 105 M 8.22 3.93 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.07 0.00 106 N 7.83 4.69 0.00 3.00 2.98 0.00 0.00 6.91 7.50 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 0.00 107 A 7.29 3.76 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 W 8.03 4.50 0.00 3.69 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 0.00 109 V 8.53 3.65 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.96 0.00 0.00 110 A 8.61 4.02 1.50 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 0.00 0.00 111 W 8.31 3.92 0.00 3.32 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.96 3.57 0.00 2.23 2.12 0.00 3.44 0.00 0.00 3.52 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.04 0.00 113 N 8.02 4.36 0.00 2.70 2.74 0.00 0.00 7.02 7.25 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 0.00 114 R 8.00 4.14 0.00 1.01 1.02 0.00 2.99 0.00 0.00 2.93 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.00 0.00 115 C 7.32 4.56 0.00 2.27 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 0.00 116 K 6.60 3.43 0.00 0.79 1.23 0.00 1.63 0.00 0.00 1.55 0.00 0.00 3.07 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.24 1.20 7.81 117 G 8.78 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 0.00 0.00 0.00 118 T 7.41 4.53 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 1.29 0.00 0.00 119 D 8.18 4.69 0.00 2.84 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 0.00 120 V 7.93 4.13 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 1.02 0.00 0.00 1.00 0.00 0.00 121 H 8.43 4.37 0.00 3.44 3.40 0.00 5.82 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 0.00 122 A 8.08 3.99 1.14 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 0.00 123 W 8.07 4.17 0.00 3.57 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.69 4.51 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.12 1.05 0.00 0.00 125 R 7.43 3.97 0.00 1.99 1.96 0.00 3.26 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.58 0.00 126 G 8.94 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 0.00 127 C 7.70 4.63 0.00 3.06 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 *128 R 8.55 4.13 0.00 1.82 1.73 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 * Residues marked with a * may have inaccurate shift predictions.