NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.4240 8.3349 115.4106 57.4299 64.3575 173.3958 1 L 4.0992 8.4197 122.2719 55.1385 42.1618 175.2155 2 R 4.7860 9.4463 122.1676 54.3991 35.7430 173.9201 3 I 4.8205 8.3340 121.3120 59.5439 39.9020 174.6952 4 L 4.6826 8.7516 129.6712 53.9147 43.9236 175.2690 5 G 4.4383 9.1326 112.8127 44.4192 0.0000 172.0406 6 L 5.4536 9.5598 123.6972 52.9109 46.5168 175.2489 7 D 4.9875 8.9601 122.4555 52.2960 43.0076 173.3680 8 L 4.4381 8.5723 127.4229 54.2590 42.7892 175.7590 9 G 4.3865 8.7338 118.5061 44.7633 0.0000 171.7726 10 T 4.3384 8.3690 111.7187 63.1714 68.9419 177.3544 11 K 4.9568 8.3681 117.1420 54.5892 34.9166 175.8518 12 T 5.1710 7.7267 109.6553 59.7315 73.0780 172.8408 13 L 5.0817 9.1248 124.8386 53.1135 44.9350 175.5364 14 G 4.0863 9.3075 115.7317 45.9894 0.0000 171.3133 15 V 5.0061 8.7225 124.9143 60.9904 34.2277 174.1669 16 A 5.2022 9.1721 129.4334 49.9913 22.7754 174.3520 17 L 5.0383 8.9678 121.6779 52.8151 45.3993 176.4559 18 S 4.8316 8.9788 121.5085 58.1426 63.8549 173.5102 19 D 4.5680 8.5372 123.5493 52.8731 40.3682 177.7930 20 E 3.8996 8.5698 112.9256 56.3958 29.0561 177.9397 *22 G 3.8747 8.1066 106.1740 45.7137 0.0000 174.0351 23 W 4.8501 8.9637 121.1546 57.3010 30.9221 176.5658 24 T 5.0265 9.2909 107.8469 59.6547 71.5335 173.1135 25 A 4.7891 8.7540 128.0265 51.9560 20.0197 177.3721 26 Q 4.6585 8.7747 122.1876 53.3599 32.0385 173.2406 27 G 3.8150 8.7582 110.8185 46.1923 0.0000 172.0454 28 I 4.5561 8.3698 124.3599 61.3862 39.0434 175.5543 29 E 4.6619 7.5499 116.5785 56.2706 32.8098 173.7146 30 T 4.7774 8.4210 116.6213 61.7780 70.2007 174.1768 31 I 4.0388 8.8366 129.3122 60.6981 38.4550 175.7687 32 K 4.7053 8.6945 127.4972 56.3494 32.3322 176.1546 33 I 4.6848 8.1598 119.2150 58.9737 41.5440 174.1265 34 N 4.6259 8.6716 119.2731 53.1067 40.2154 175.3154 35 E 3.0304 8.8939 127.1273 58.3227 30.0581 179.0400 36 A 3.9588 7.5460 119.5758 54.3076 18.4353 177.6698 37 E 4.3817 8.0200 113.0874 55.6922 30.0430 176.3206 38 G 3.8759 8.1105 107.1098 46.3716 0.0000 173.8617 39 D 4.6276 8.0031 121.3759 52.9217 40.2487 175.6768 40 Y 4.2500 8.5902 122.0352 57.1601 38.4183 176.6722 41 G 4.0077 8.3497 108.0310 46.7159 0.0000 175.9035 42 L 4.1205 8.3399 121.7874 57.9016 41.5147 179.0106 43 S 4.1212 8.2045 112.1650 61.6588 62.1123 175.9544 44 R 4.0712 7.9733 119.5971 60.0192 30.1713 177.2442 45 L 3.8980 8.9079 120.0072 57.9457 41.3873 178.8974 46 S 4.1417 8.9791 114.6081 62.0633 62.9453 177.1167 47 E 4.1188 8.3152 122.2662 60.0909 29.2916 179.8379 48 L 4.3063 8.3649 121.9830 58.2632 39.6698 180.1473 49 I 4.8599 7.3276 110.8587 61.0730 38.3733 177.7054 50 K 4.3001 8.1381 121.4738 59.2294 32.5037 177.9798 51 D 4.3371 8.0222 117.6081 56.1860 41.1329 176.1797 52 Y 4.2986 7.0342 114.3782 57.2090 39.3720 175.0663 53 T 4.5382 8.1470 116.0681 62.1010 71.2482 173.2748 54 I 4.8205 8.3111 127.3603 60.2880 38.3585 175.6395 55 D 4.9306 8.2611 123.7428 52.5039 40.5237 175.4402 56 K 4.4723 7.3283 117.4929 56.0395 35.6404 173.4349 57 I 4.8178 8.1276 126.5206 59.3861 40.9818 174.5639 58 V 4.3854 8.9958 126.6535 61.0989 33.6126 173.8287 59 L 5.1374 8.9804 131.5232 52.7767 44.2788 175.8044 60 G 4.2745 9.1440 114.7216 47.0799 0.0000 172.3470 61 F 5.1852 9.9898 127.2508 55.5662 43.0191 172.1101 62 P 4.5854 0.0000 0.0000 61.8790 31.6763 176.7104 63 K 4.1549 8.6444 123.8042 56.8300 33.6597 177.7764 64 N 5.1298 7.9832 122.0690 52.8482 36.1249 177.8215 *66 N 4.4191 8.5989 108.7297 52.0658 38.6929 174.2695 67 G 4.0413 9.4052 104.7996 46.3952 0.0000 172.7366 68 T 4.5999 7.5617 116.4700 60.4275 70.0242 173.9575 69 V 4.4024 8.1662 124.0842 58.3296 35.8071 174.8906 70 G 4.0130 8.0887 107.3948 43.5759 0.0000 172.3279 71 P 4.2880 0.0000 0.0000 65.6899 31.0859 178.7196 72 R 3.9733 7.9618 117.0992 59.2953 30.1162 178.5806 73 G 3.3096 7.8957 105.0005 47.7914 0.0000 175.1998 74 E 4.0813 8.3294 120.9667 59.1586 29.4847 179.3732 75 A 4.0710 8.2008 120.7029 55.3383 18.3529 179.9484 76 S 4.3898 8.7971 116.5030 62.3447 63.1531 177.3794 77 Q 3.9475 9.0974 123.8372 60.6861 27.8912 181.0268 78 T 4.1671 8.0514 117.9640 66.3940 68.4993 176.6103 79 F 4.2274 8.4369 122.4365 61.3280 39.2721 176.9681 80 A 3.9028 8.4078 120.6598 55.0423 18.0488 179.8131 81 K 3.8590 7.5441 116.0716 59.3729 32.1260 179.7335 82 V 3.4336 7.5673 118.3379 65.9376 31.5105 177.8720 83 L 3.8705 7.5496 118.5863 57.8187 41.4587 179.2298 84 E 4.5737 8.4272 120.5735 59.1401 29.4233 178.8713 85 T 3.9815 7.8508 108.1019 64.3808 69.1072 176.6346 86 T 3.8405 8.0023 118.6899 65.7202 68.6116 175.4759 87 Y 4.5665 8.0034 115.3848 56.3483 39.1980 174.9002 88 N 4.2760 8.3944 117.5636 54.8146 38.3605 173.9885 89 V 4.6795 7.4020 108.2404 58.2110 36.2247 174.1524 90 P 4.7093 0.0000 0.0000 63.2602 32.3632 175.0190 91 V 4.5382 8.4967 123.4022 61.1026 33.3540 174.8614 92 V 4.0159 8.9170 129.2325 62.0896 32.9705 174.7121 93 L 4.8825 8.5249 128.1686 53.5646 42.4594 175.9761 94 W 4.8421 9.4662 135.0000 55.8381 31.7826 175.7949 95 D 5.7930 8.0613 125.0192 52.1864 39.4554 176.2284 96 E 3.8736 6.6004 119.0955 56.0630 29.9970 177.0557 97 R 4.0169 8.2921 121.3121 56.5703 30.7073 176.6281 98 L 4.6826 8.1453 121.0970 53.9066 43.8244 175.9935 99 T 4.4775 8.1314 107.0094 62.5236 69.2376 176.5057 100 T 3.6911 8.1633 115.6686 66.4214 68.8664 175.4921 *102 A 4.1897 8.0938 125.6930 52.2482 20.4795 179.3151 103 A 3.9103 8.4472 117.7567 55.4963 18.8156 178.2528 104 E 4.0812 8.6292 117.0542 59.6483 29.7890 180.3772 105 K 4.1371 7.5544 114.1563 57.2498 31.7612 178.7576 *107 L 4.2936 8.0374 121.1731 54.9876 43.6790 179.3830 108 I 3.6983 8.1061 119.2940 64.2138 37.1810 178.3324 109 A 3.9744 8.0848 122.2414 54.6446 18.2786 177.7975 110 A 4.3878 7.8524 116.7584 51.8932 18.7245 176.7821 111 D 4.4665 8.0282 115.1596 55.8660 38.9195 174.2781 112 V 3.7551 7.5928 119.3395 62.3505 32.1747 176.8243 113 S 4.3750 8.4494 121.6667 58.1612 64.9589 175.4745 114 R 3.9437 8.5332 121.9732 59.5998 29.9151 179.3428 115 Q 3.9967 7.9798 116.8763 59.2030 28.6667 178.3160 116 K 3.9811 8.2406 121.6886 58.9685 32.1265 179.0082 117 R 3.8874 8.4150 118.9283 59.1143 30.0061 178.5726 118 K 3.8172 7.9795 119.3142 59.6868 32.0476 178.7735 119 K 3.9442 7.9290 118.1212 59.4642 31.7864 179.5014 120 V 3.5901 7.8215 117.3866 66.2039 31.5392 177.8402 121 I 3.8871 7.8217 118.4981 64.3176 36.9625 177.9293 122 D 4.5626 8.0835 119.0222 57.1284 40.7626 180.0359 123 K 3.8847 8.0500 117.2681 56.5324 32.6636 178.1356 *125 A 4.3806 7.9698 122.1370 52.3240 20.6413 178.7592 126 A 4.1623 8.0916 118.0953 55.5977 18.5436 181.0628 127 V 3.6944 7.6260 113.7948 63.3271 31.1849 177.9242 *129 I 4.1839 7.9660 119.3794 60.8831 39.0674 177.8774 130 L 3.7998 7.8632 121.3423 58.1966 41.8180 178.7743 131 Q 4.0573 8.5028 120.0291 58.8592 28.7181 178.2532 132 G 3.7709 7.9616 105.5635 48.0491 0.0000 174.5142 133 Y 3.0644 6.9432 122.1578 59.8953 38.6391 177.6986 134 L 3.7911 8.0864 120.2428 58.2336 41.6071 179.2780 135 D 4.4677 7.7735 116.4121 56.4713 40.7975 178.3151 136 S 4.3604 8.0767 115.7394 60.6780 63.0422 174.0524 137 L 4.0433 7.1918 125.4796 54.8968 41.3131 176.6533 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 4.42 0.00 3.96 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 1 L 8.42 4.10 0.00 1.72 1.80 1.00 0.60 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 2 R 9.45 4.79 0.00 1.65 1.68 0.00 3.38 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.83 0.00 3 I 8.33 4.82 1.85 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.65 0.85 0.00 0.00 4 L 8.75 4.68 0.00 1.63 1.39 0.81 0.86 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 5 G 9.13 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 0.00 0.00 0.00 0.00 6 L 9.56 5.45 0.00 1.62 1.65 1.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 7 D 8.96 4.99 0.00 2.77 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.57 4.44 0.00 1.58 1.55 0.57 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.73 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 0.00 0.00 0.00 0.00 10 T 8.37 4.34 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 1.18 0.00 0.00 11 K 8.37 4.96 0.00 1.63 1.71 0.00 1.91 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.15 7.81 12 T 7.73 5.17 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 1.20 0.00 0.00 13 L 9.12 5.08 0.00 1.71 1.59 1.08 1.37 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 14 G 9.31 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.72 5.01 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 0.98 0.00 0.00 1.00 0.00 0.00 16 A 9.17 5.20 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.97 5.04 0.00 1.43 1.25 -0.26 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.98 4.83 0.00 3.83 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 19 D 8.54 4.57 0.00 2.63 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 20 E 8.57 3.90 0.00 2.01 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 2.23 1.89 0.00 *22 G 8.11 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 23 W 8.96 4.85 0.00 3.36 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 24 T 9.29 5.03 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 1.36 0.00 0.00 25 A 8.75 4.79 1.23 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 0.00 0.00 26 Q 8.77 4.66 0.00 1.72 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.95 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 27 G 8.76 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 28 I 8.37 4.56 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.89 0.00 0.00 29 E 7.55 4.66 0.00 1.99 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 2.29 0.00 30 T 8.42 4.78 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 31 I 8.84 4.04 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.54 0.93 0.00 0.00 32 K 8.69 4.71 0.00 1.63 1.74 0.00 1.69 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.44 1.37 7.81 33 I 8.16 4.68 1.94 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.23 0.98 0.00 0.00 34 N 8.67 4.63 0.00 2.65 2.60 0.00 0.00 7.28 7.21 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 35 E 8.89 3.03 0.00 1.29 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 36 A 7.55 3.96 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 37 E 8.02 4.38 0.00 2.02 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 2.20 2.23 0.00 38 G 8.11 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 0.00 0.00 0.00 39 D 8.00 4.63 0.00 2.64 2.67 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 0.00 0.00 0.00 40 Y 8.59 4.25 0.00 3.21 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 41 G 8.35 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 42 L 8.34 4.12 0.00 1.79 1.89 1.13 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 43 S 8.20 4.12 0.00 3.93 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 44 R 7.97 4.07 0.00 1.86 2.13 0.00 3.38 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 45 L 8.91 3.90 0.00 1.97 1.90 0.91 1.23 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 46 S 8.98 4.14 0.00 4.21 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 47 E 8.32 4.12 0.00 2.19 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 2.37 2.51 0.00 48 L 8.36 4.31 0.00 1.69 1.59 0.92 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.33 4.86 1.84 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.81 0.00 0.00 50 K 8.14 4.30 0.00 1.79 1.91 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.74 7.81 51 D 8.02 4.34 0.00 2.13 2.32 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 52 Y 7.03 4.30 0.00 2.93 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 53 T 8.15 4.54 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 54 I 8.31 4.82 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.65 0.89 0.00 0.00 55 D 8.26 4.93 0.00 2.64 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 56 K 7.33 4.47 0.00 1.77 1.56 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.09 1.42 7.81 57 I 8.13 4.82 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.66 0.84 0.00 0.00 58 V 9.00 4.39 1.88 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 0.60 0.00 0.00 0.35 0.00 0.00 59 L 8.98 5.14 0.00 1.81 1.55 1.24 1.14 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 60 G 9.14 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 61 F 9.99 5.19 0.00 3.06 2.94 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 62 P 0.00 4.59 0.00 1.66 1.79 0.00 2.20 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.90 0.00 63 K 8.64 4.15 0.00 1.69 1.71 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.53 7.81 64 N 7.98 5.13 0.00 2.88 2.24 0.00 0.00 6.25 8.04 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 *66 N 8.60 4.42 0.00 2.70 2.84 0.00 0.00 6.54 8.31 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 67 G 9.41 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 0.00 0.00 0.00 68 T 7.56 4.60 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 1.20 0.00 0.00 69 V 8.17 4.40 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 0.83 0.00 0.00 0.93 0.00 0.00 70 G 8.09 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 71 P 0.00 4.29 0.00 2.16 2.13 0.00 3.58 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 72 R 7.96 3.97 0.00 1.87 1.84 0.00 3.21 0.00 0.00 3.32 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 73 G 7.90 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 E 8.33 4.08 0.00 2.29 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 2.33 2.21 0.00 75 A 8.20 4.07 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 76 S 8.80 4.39 0.00 4.35 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 0.00 77 Q 9.10 3.95 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 78 T 8.05 4.17 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 1.20 0.00 0.00 79 F 8.44 4.23 0.00 3.14 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 80 A 8.41 3.90 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 81 K 7.54 3.86 0.00 2.17 1.82 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.46 1.32 7.81 82 V 7.57 3.43 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 0.75 0.00 0.00 0.89 0.00 0.00 83 L 7.55 3.87 0.00 1.69 1.68 0.47 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 84 E 8.43 4.57 0.00 2.01 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 2.27 2.30 0.00 85 T 7.85 3.98 4.17 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 1.18 0.00 0.00 86 T 8.00 3.84 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 87 Y 8.00 4.57 0.00 2.97 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 88 N 8.39 4.28 0.00 2.80 2.87 0.00 0.00 6.90 7.23 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 89 V 7.40 4.68 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.92 0.00 0.00 90 P 0.00 4.71 0.00 2.08 2.17 0.00 3.76 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.97 0.00 91 V 8.50 4.54 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 0.70 0.00 0.00 0.90 0.00 0.00 92 V 8.92 4.02 1.80 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 1.02 0.00 0.00 0.61 0.00 0.00 93 L 8.52 4.88 0.00 1.33 1.20 0.44 0.67 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 94 W 9.47 4.84 0.00 3.41 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 95 D 8.06 5.79 0.00 2.78 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 96 E 6.60 3.87 0.00 1.33 1.69 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 1.51 1.47 0.00 97 R 8.29 4.02 0.00 1.80 1.89 0.00 3.18 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 98 L 8.15 4.68 0.00 1.69 1.71 1.01 1.17 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 99 T 8.13 4.48 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 1.26 0.00 0.00 100 T 8.16 3.69 4.26 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 1.22 0.00 0.00 *102 A 8.09 4.19 1.33 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 0.00 0.00 0.00 103 A 8.45 3.91 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 0.00 104 E 8.63 4.08 0.00 2.04 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 2.36 0.00 105 K 7.55 4.14 0.00 2.09 1.81 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.42 7.81 *107 L 8.04 4.29 0.00 1.87 1.76 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 108 I 8.11 3.70 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 0.91 0.00 0.00 109 A 8.08 3.97 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 0.00 110 A 7.85 4.39 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.03 4.47 0.00 2.88 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 0.00 112 V 7.59 3.76 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 0.80 0.00 0.00 0.97 0.00 0.00 113 S 8.45 4.37 0.00 4.09 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 0.00 114 R 8.53 3.94 0.00 1.87 2.03 0.00 3.13 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.70 0.00 115 Q 7.98 4.00 0.00 2.37 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.92 0.00 0.00 0.00 0.00 0.00 2.41 1.98 0.00 116 K 8.24 3.98 0.00 1.90 1.84 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.52 7.81 117 R 8.42 3.89 0.00 1.86 1.97 0.00 3.20 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.02 0.00 118 K 7.98 3.82 0.00 1.98 2.02 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.55 7.81 119 K 7.93 3.94 0.00 2.00 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.70 7.81 120 V 7.82 3.59 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 0.84 0.00 0.00 0.99 0.00 0.00 121 I 7.82 3.89 1.95 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.74 0.92 0.00 0.00 122 D 8.08 4.56 0.00 2.85 2.73 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 0.00 123 K 8.05 3.88 0.00 1.95 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 *125 A 7.97 4.38 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 0.00 126 A 8.09 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 0.00 127 V 7.63 3.69 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 1.10 0.00 0.00 0.93 0.00 0.00 *129 I 7.97 4.18 2.05 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 1.52 0.60 0.95 0.00 0.00 130 L 7.86 3.80 0.00 1.70 1.62 0.87 0.57 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 0.00 131 Q 8.50 4.06 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.60 0.00 132 G 7.96 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Y 6.94 3.06 0.00 1.91 2.67 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 0.00 0.00 0.00 134 L 8.09 3.79 0.00 1.67 1.74 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 135 D 7.77 4.47 0.00 2.82 2.72 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 0.00 136 S 8.08 4.36 0.00 3.74 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 0.00 137 L 7.19 4.04 0.00 1.62 1.51 0.33 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.