NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5498 8.1633 120.2816 54.9657 33.7721 173.6538 2 K 4.6049 8.3661 124.1658 55.7967 33.5350 171.3475 3 V 4.8870 10.1669 119.1961 59.8961 36.9794 174.8545 4 I 4.3264 8.8341 125.2791 59.6642 37.8617 175.3667 5 L 4.1286 8.2877 127.8753 55.5858 42.3962 176.6141 6 L 4.4448 8.1516 118.7360 56.6668 43.1520 179.2623 7 E 4.2026 7.9151 118.7002 55.8316 29.8880 174.2539 8 P 5.6837 0.0000 0.0000 61.1368 34.3124 173.4857 9 L 4.7120 7.9030 116.2808 52.9365 46.1784 175.3937 10 E 4.0158 8.6631 121.1099 57.4509 30.0429 177.9112 11 N 4.3393 9.0164 121.0745 54.4740 38.7515 173.9274 12 L 4.4480 8.3528 118.4985 54.9175 42.1541 174.9280 13 G 4.0988 7.9117 111.1447 44.4266 0.0000 171.0559 14 D 4.4464 8.4811 117.1258 53.3805 41.9230 177.7253 15 V 3.6844 8.5620 124.0383 62.6624 31.6616 178.1574 16 G 4.2165 8.4673 107.4320 46.6787 0.0000 174.3846 17 Q 4.1065 8.1951 122.1730 56.2632 30.1770 175.1800 18 V 4.6479 8.3149 125.9957 61.7756 32.9707 175.1871 19 V 4.7301 8.5821 126.0914 60.2557 35.2477 173.1107 20 D 5.3782 8.6607 121.6010 52.1677 41.0555 175.7265 21 V 4.6541 8.6028 114.7028 58.8543 36.2319 175.6398 22 K 4.0009 8.6539 121.0604 56.4100 32.7849 176.3121 23 P 4.3454 0.0000 0.0000 66.0445 30.9337 178.9189 24 G 3.7207 8.1403 103.3695 47.3314 0.0000 175.1605 25 Y 4.1898 8.3512 122.2582 60.9303 38.9247 177.2238 26 A 3.9365 8.1628 121.2175 55.3315 18.3378 179.3464 27 R 3.8823 7.8489 115.3557 58.8361 30.3804 177.7232 28 N 4.8247 7.7452 111.4740 53.0931 39.4374 173.8985 29 Y 4.4699 7.3902 117.1710 56.5514 40.7580 176.8509 30 L 3.4818 7.1568 116.1063 58.8232 41.8566 179.0581 31 L 3.9194 8.3465 118.0898 57.6919 41.7783 177.9341 32 P 4.2483 0.0000 0.0000 65.7596 31.4909 178.2383 33 R 4.1723 7.7286 113.1499 55.9311 30.1567 177.4175 34 G 3.8254 7.3648 105.7218 46.1921 0.0000 173.8846 35 L 4.3562 7.4307 117.8390 53.2860 41.5375 175.8481 36 A 4.4261 6.9602 120.3992 52.3636 21.6015 175.6484 37 V 4.5056 7.7978 117.9762 61.3881 35.8972 173.8617 38 L 4.5745 8.4018 122.6238 53.2667 42.3856 178.8689 39 A 4.5178 8.5415 127.7972 51.8150 16.2227 178.1371 40 T 4.1233 7.8041 111.0880 61.7752 70.5726 175.3732 41 E 3.9570 9.0049 123.0166 60.7682 29.4459 179.1419 42 S 4.0297 8.3356 113.3573 62.1436 62.6372 176.1089 43 N 4.2434 8.6034 118.2724 56.7396 38.5958 177.2215 44 L 3.9550 8.5890 121.3478 58.0132 41.7158 179.9703 45 K 3.9955 8.1328 118.0356 59.8479 32.7013 178.9642 46 A 3.9610 8.0117 121.9009 54.4350 18.1337 179.5190 47 L 3.8786 8.2902 119.5421 58.2951 42.1931 178.2959 48 E 3.8399 7.8197 119.3570 60.0291 29.5566 178.1289 49 A 3.8903 8.2178 119.6925 55.7168 18.2973 179.3657 50 R 3.8681 8.0203 114.6069 59.6942 30.2595 179.4798 51 I 3.7810 7.9638 118.1411 63.8477 37.2785 178.5181 52 R 4.0952 8.2442 117.1433 59.8060 29.6946 177.8402 53 A 3.9177 7.9434 121.7589 54.8413 18.0279 178.4476 54 Q 3.9959 8.4100 118.6732 57.2709 29.5443 177.4283 55 A 4.6285 7.6194 118.0429 52.6706 20.3634 177.8044 56 K 4.5208 8.6434 114.1158 56.3749 33.9551 177.7693 57 R 4.1581 7.7291 120.2303 59.0657 30.2565 177.0939 58 L 4.3691 7.7735 115.0029 55.6473 42.1155 176.3117 59 A 4.7776 7.7169 119.7088 52.7021 19.5826 177.1108 60 E 4.5904 8.2476 120.3190 57.3348 31.3976 176.3457 61 R 4.4168 7.9968 115.1937 56.5673 30.5251 176.2635 62 K 4.5193 7.9097 116.9956 55.8143 32.9998 175.8681 63 A 4.6351 7.9074 119.5171 52.0538 20.5877 177.7722 64 E 4.5622 8.0056 112.9656 56.3938 31.8560 177.1686 65 A 4.3695 8.1356 119.2559 52.9726 18.4911 177.2374 66 E 4.6402 8.0609 113.5463 55.9680 31.9851 176.3243 67 R 4.6821 8.0206 117.5768 52.9814 30.1915 175.4546 68 L 5.3403 7.2511 133.4284 56.6349 42.6625 174.9101 69 K 4.1401 8.0349 115.1123 57.2557 31.6928 176.3821 70 E 4.6589 7.9583 115.5689 56.2028 31.5536 176.6773 71 I 4.1029 7.7738 112.2847 61.7552 38.4505 177.0417 72 L 4.5542 7.6977 117.5815 54.3932 42.4112 176.3337 73 E 4.2295 8.1031 118.5505 57.1066 30.0833 175.5879 74 N 4.7848 7.8741 112.4349 55.3564 40.7522 174.7458 75 L 4.0497 7.5082 119.2939 55.1859 42.6304 176.3576 76 T 4.7510 8.2316 115.6620 60.2344 71.4938 172.5442 77 L 4.2884 8.0197 117.9762 56.6445 43.3273 174.7115 78 T 3.4950 8.0772 120.1494 63.5846 67.7583 171.4579 79 I 4.5143 8.5932 126.5668 58.6880 40.7147 174.3416 80 P 4.8066 0.0000 0.0000 61.9253 29.0789 175.1998 81 V 4.1042 7.9459 121.4542 61.4204 33.8056 175.0610 82 R 4.4747 8.5113 127.6639 56.3859 31.0800 175.2347 83 A 2.8119 7.7154 127.4475 50.9644 22.1419 176.5735 84 G 4.3279 7.1959 106.6327 43.3526 0.0000 174.2681 85 E 3.8451 8.1255 129.7704 57.6406 27.2701 176.6480 86 T 3.7539 8.2370 127.0565 66.3592 68.2179 173.2454 87 K 3.8648 8.2470 121.0696 57.3824 33.2071 176.5108 88 I 3.6467 8.1927 126.7716 62.9835 38.0602 174.8114 89 Y 4.1652 8.7316 123.7250 60.2513 37.7743 176.7935 90 G 4.1937 9.2913 121.3968 45.9429 0.0000 174.8186 91 S 4.2718 8.7567 121.7025 58.1759 63.3004 175.3629 92 V 4.2202 7.5542 122.2138 60.7024 30.9186 176.4388 93 T 4.3161 8.4107 118.5900 61.0193 72.0279 174.5561 94 A 4.0728 8.3842 120.9487 55.3572 18.5761 179.9018 95 K 3.5776 8.0355 116.5713 60.1929 32.0610 178.2235 96 D 4.4132 8.0360 119.1210 56.3869 40.5975 178.3410 97 I 3.6406 8.0466 119.4037 65.1838 37.4392 177.6727 98 A 3.9088 8.8505 121.6971 56.0206 17.9215 178.6904 99 E 3.7630 8.5847 115.2152 60.2145 29.4878 178.3586 100 A 4.3982 8.9559 117.5641 52.6070 18.5697 178.2285 101 L 4.0867 7.5245 122.2185 57.4019 43.1035 178.3377 102 S 5.2215 8.1485 114.0340 60.0166 62.0444 175.2324 103 R 4.5933 7.3901 116.5592 55.9395 32.2844 176.3011 104 Q 4.2011 7.8367 118.2322 58.3406 29.4787 175.8506 105 H 4.7124 9.5743 112.3369 57.4717 30.4739 174.1877 106 G 3.8382 7.6559 110.4121 44.4315 0.0000 174.0058 107 V 3.6694 7.6353 120.9579 63.5466 31.9721 174.2811 108 T 4.8326 8.0249 119.8377 61.8634 70.0880 174.1465 109 I 4.5214 7.8327 117.3741 60.1808 40.3396 173.2227 110 D 4.7964 8.9286 121.6357 52.5371 41.5693 176.1536 111 P 4.6010 0.0000 0.0000 64.0893 31.7172 176.7080 112 K 4.4226 7.8300 118.0116 57.1626 33.7785 177.6683 113 R 4.1088 7.6422 116.0287 56.4379 30.0261 178.1005 114 L 4.1106 7.4936 118.1800 55.6136 42.2750 176.8932 115 A 3.5963 7.7330 119.3974 53.2239 15.4865 178.8716 116 L 4.4232 7.3630 123.2364 52.7433 41.5946 175.3047 117 E 4.0252 8.4995 121.2755 58.3474 29.8813 178.0934 118 K 4.6477 7.5579 119.1027 52.9601 34.8886 174.6579 119 P 4.2968 0.0000 0.0000 63.1315 32.0237 178.9450 120 I 2.9603 7.9935 121.9135 60.4406 35.8867 174.3539 121 K 3.7531 8.7366 123.7071 56.1343 30.6590 174.2681 122 E 4.8946 7.3948 115.1070 55.6347 32.8354 175.8682 123 L 4.1489 8.0836 125.4419 54.5583 42.2896 177.9245 124 G 3.3723 6.5310 106.1604 44.7371 0.0000 171.6018 125 E 4.6025 7.9138 122.1275 55.1602 30.7419 175.4441 126 Y 4.7319 8.8525 124.3986 56.3330 39.7593 176.2160 127 V 4.4779 8.2685 127.0018 61.8083 29.7673 175.9578 128 L 4.5379 7.9293 123.5347 54.6254 44.4709 176.2832 129 T 4.5858 8.1729 116.3925 63.0865 72.0334 173.8694 130 Y 4.8471 8.5028 135.0000 56.7255 40.6793 174.5525 131 K 4.0147 7.5158 118.5418 55.4652 34.7470 171.5914 132 P 4.8487 0.0000 0.0000 61.4540 34.8563 176.8331 133 H 3.7069 8.3860 115.4979 55.6946 29.1824 174.7161 134 P 4.2150 0.0000 0.0000 61.5132 30.1743 174.9955 135 E 4.2861 8.4675 122.5157 56.4024 30.7294 177.7617 136 V 4.4686 8.2928 121.2390 59.2504 33.1824 171.8600 137 P 4.7783 0.0000 0.0000 63.1007 32.0369 175.9038 138 I 4.5056 8.3703 123.0380 59.7317 40.8148 173.6651 139 Q 5.0623 8.4473 123.3070 54.4675 32.0793 173.5453 140 L 4.8496 9.1741 127.7064 53.3576 45.3984 175.2809 141 K 4.8176 8.4849 124.9739 53.2664 33.3252 174.0336 142 V 4.0527 8.1049 117.3982 61.6587 33.0612 175.4545 143 S 4.6910 9.4700 121.9706 56.8516 65.3575 171.6912 144 V 4.7632 7.7339 119.5383 61.3786 32.8968 173.0495 145 V 3.1141 8.1524 122.1590 62.1095 32.0901 173.0116 *146 A 4.1219 8.3860 124.8928 52.5080 18.7144 176.6943 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 M 8.16 4.55 0.00 1.97 2.35 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 2 K 8.37 4.60 0.00 1.77 1.74 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.54 1.49 7.81 3 V 10.17 4.89 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 0.80 0.00 0.00 1.01 0.00 0.00 4 I 8.83 4.33 1.87 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 0.61 0.91 0.00 0.00 5 L 8.29 4.13 0.00 1.58 1.62 0.96 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.15 4.44 0.00 1.48 1.61 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.92 4.20 0.00 1.93 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 0.00 2.31 2.37 0.00 8 P 0.00 5.68 0.00 2.15 2.01 0.00 3.37 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.91 0.00 9 L 7.90 4.71 0.00 1.93 1.62 1.03 0.95 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 10 E 8.66 4.02 0.00 1.99 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 0.00 2.38 2.25 0.00 11 N 9.02 4.34 0.00 2.85 2.87 0.00 0.00 6.85 7.78 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 12 L 8.35 4.45 0.00 1.80 1.76 1.05 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 13 G 7.91 4.10 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 0.00 0.00 0.00 14 D 8.48 4.45 0.00 2.89 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 15 V 8.56 3.68 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.95 0.00 0.00 16 G 8.47 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 8.20 4.11 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 18 V 8.31 4.65 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 0.88 0.00 0.00 0.94 0.00 0.00 19 V 8.58 4.73 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.96 0.00 0.00 20 D 8.66 5.38 0.00 2.70 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 8.60 4.65 2.31 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 0.88 0.00 0.00 1.10 0.00 0.00 22 K 8.65 4.00 0.00 1.88 1.80 0.00 1.54 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.53 1.53 7.81 23 P 0.00 4.35 0.00 2.18 2.16 0.00 3.62 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.22 0.00 24 G 8.14 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 25 Y 8.35 4.19 0.00 2.96 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.16 3.94 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.85 3.88 0.00 1.87 2.04 0.00 3.14 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 28 N 7.75 4.82 0.00 2.98 2.87 0.00 0.00 6.73 7.12 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 29 Y 7.39 4.47 0.00 2.59 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 0.00 0.00 0.00 0.00 30 L 7.16 3.48 0.00 1.64 1.58 1.09 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.35 3.92 0.00 1.74 1.70 0.94 0.86 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 P 0.00 4.25 0.00 2.02 2.07 0.00 3.70 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 2.11 2.24 0.00 33 R 7.73 4.17 0.00 1.38 1.72 0.00 2.21 0.00 0.00 2.83 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 34 G 7.36 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 0.00 0.00 0.00 35 L 7.43 4.36 0.00 1.60 1.61 0.68 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 36 A 6.96 4.43 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 7.80 4.51 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 0.95 0.00 0.00 0.92 0.00 0.00 38 L 8.40 4.57 0.00 1.55 1.58 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.54 4.52 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 40 T 7.80 4.12 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 1.26 0.00 0.00 41 E 9.00 3.96 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 2.41 2.43 0.00 42 S 8.34 4.03 0.00 3.86 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 43 N 8.60 4.24 0.00 2.75 2.89 0.00 0.00 7.16 6.85 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 44 L 8.59 3.96 0.00 1.80 1.76 0.94 -0.24 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 45 K 8.13 4.00 0.00 2.00 2.06 0.00 1.32 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.45 7.81 46 A 8.01 3.96 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 47 L 8.29 3.88 0.00 1.75 1.89 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 48 E 7.82 3.84 0.00 2.05 2.00 0.00 0.00 0.00 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 2.51 0.00 49 A 8.22 3.89 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 50 R 8.02 3.87 0.00 1.99 2.02 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 51 I 7.96 3.78 2.12 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 1.58 0.74 0.91 0.00 0.00 52 R 8.24 4.10 0.00 2.03 2.17 0.00 2.79 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.62 0.00 53 A 7.94 3.92 1.32 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 0.00 0.00 54 Q 8.41 4.00 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.69 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 55 A 7.62 4.63 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 56 K 8.64 4.52 0.00 1.80 1.88 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.68 7.81 57 R 7.73 4.16 0.00 1.95 1.94 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 58 L 7.77 4.37 0.00 1.76 1.64 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.72 4.78 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 60 E 8.25 4.59 0.00 2.01 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 2.20 2.28 0.00 61 R 8.00 4.42 0.00 1.80 1.94 0.00 3.26 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 62 K 7.91 4.52 0.00 1.61 1.70 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.22 1.29 7.81 63 A 7.91 4.64 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 64 E 8.01 4.56 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.22 0.00 65 A 8.14 4.37 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 66 E 8.06 4.64 0.00 1.94 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 0.00 2.22 2.24 0.00 67 R 8.02 4.68 0.00 1.92 1.86 0.00 3.57 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 68 L 7.25 5.34 0.00 1.73 1.85 0.90 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.03 4.14 0.00 1.87 1.84 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.71 7.81 70 E 7.96 4.66 0.00 1.95 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 2.20 2.20 0.00 71 I 7.77 4.10 1.87 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.85 0.91 0.00 0.00 72 L 7.70 4.55 0.00 1.74 1.66 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.10 4.23 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 2.28 2.39 0.00 74 N 7.87 4.78 0.00 2.70 2.80 0.00 0.00 6.92 7.85 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 75 L 7.51 4.05 0.00 1.59 1.78 1.01 1.01 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 76 T 8.23 4.75 4.41 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 1.25 0.00 0.00 77 L 8.02 4.29 0.00 1.59 1.68 0.89 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 78 T 8.08 3.49 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 1.25 0.00 0.00 79 I 8.59 4.51 1.89 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 1.24 1.31 0.92 0.00 0.00 80 P 0.00 4.81 0.00 1.94 2.01 0.00 3.67 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 81 V 7.95 4.10 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 0.86 0.00 0.00 0.94 0.00 0.00 82 R 8.51 4.47 0.00 2.01 1.97 0.00 3.37 0.00 0.00 3.54 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.76 0.00 83 A 7.72 2.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 G 7.20 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 0.00 0.00 0.00 0.00 85 E 8.13 3.85 0.00 2.17 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 2.20 2.28 0.00 86 T 8.24 3.75 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 1.32 0.00 0.00 87 K 8.25 3.86 0.00 1.89 1.83 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.02 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.57 1.61 7.81 88 I 8.19 3.65 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.11 0.93 0.00 0.00 89 Y 8.73 4.17 0.00 2.93 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 90 G 9.29 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 8.76 4.27 0.00 4.21 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 92 V 7.55 4.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.94 0.00 0.00 93 T 8.41 4.32 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 94 A 8.38 4.07 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 K 8.04 3.58 0.00 1.81 1.88 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.54 7.81 96 D 8.04 4.41 0.00 2.94 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 97 I 8.05 3.64 2.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.28 0.91 0.00 0.00 98 A 8.85 3.91 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 99 E 8.58 3.76 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 100 A 8.96 4.40 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 0.00 101 L 7.52 4.09 0.00 1.82 1.79 0.76 0.87 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 0.00 102 S 8.15 5.22 0.00 3.96 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 0.00 103 R 7.39 4.59 0.00 1.88 1.89 0.00 3.21 0.00 0.00 3.15 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 104 Q 7.84 4.20 0.00 2.28 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 105 H 9.57 4.71 0.00 3.10 3.28 0.00 5.77 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 7.66 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 0.00 0.00 0.00 107 V 7.64 3.67 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 0.96 0.00 0.00 0.90 0.00 0.00 108 T 8.02 4.83 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 0.00 109 I 7.83 4.52 2.04 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 1.37 0.30 0.59 0.00 0.00 110 D 8.93 4.80 0.00 2.81 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.60 0.00 2.18 2.19 0.00 3.74 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 1.99 2.00 0.00 112 K 7.83 4.42 0.00 1.75 1.81 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.36 7.81 113 R 7.64 4.11 0.00 1.23 0.71 0.00 3.02 0.00 0.00 3.13 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.51 0.00 114 L 7.49 4.11 0.00 1.72 1.76 1.01 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.73 3.60 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 0.00 116 L 7.36 4.42 0.00 1.56 1.57 0.84 0.99 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 0.00 117 E 8.50 4.03 0.00 2.09 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 2.24 2.32 0.00 118 K 7.56 4.65 0.00 1.77 1.70 0.00 1.65 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.37 7.81 119 P 0.00 4.30 0.00 2.21 2.24 0.00 3.76 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 2.06 1.98 0.00 120 I 7.99 2.96 1.84 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.25 0.99 0.00 0.00 121 K 8.74 3.75 0.00 1.90 1.84 0.00 1.87 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.60 7.81 122 E 7.39 4.89 0.00 2.05 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 0.00 2.09 2.16 0.00 123 L 8.08 4.15 0.00 1.67 1.51 0.89 0.85 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 0.00 124 G 6.53 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 0.00 0.00 0.00 125 E 7.91 4.60 0.00 1.74 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.19 0.00 126 Y 8.85 4.73 0.00 3.06 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 0.00 127 V 8.27 4.48 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 0.83 0.00 0.00 0.96 0.00 0.00 128 L 7.93 4.54 0.00 1.60 1.66 0.81 0.68 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 0.00 129 T 8.17 4.59 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 1.23 0.00 0.00 130 Y 8.50 4.85 0.00 3.00 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 0.00 131 K 7.52 4.01 0.00 1.54 1.31 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.06 1.16 7.81 132 P 0.00 4.85 0.00 2.14 1.94 0.00 3.75 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.84 0.00 133 H 8.39 3.71 0.00 3.34 2.61 0.00 5.77 0.00 0.00 0.00 0.00 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.22 0.00 2.18 2.44 0.00 3.89 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 135 E 8.47 4.29 0.00 1.87 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.48 0.00 136 V 8.29 4.47 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 0.98 0.00 0.00 0.91 0.00 0.00 137 P 0.00 4.78 0.00 2.12 2.15 0.00 3.92 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 2.21 2.02 0.00 138 I 8.37 4.51 1.86 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 1.15 1.04 0.86 0.00 0.00 139 Q 8.45 5.06 0.00 2.11 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.86 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 140 L 9.17 4.85 0.00 1.79 1.65 0.97 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 141 K 8.48 4.82 0.00 1.70 1.67 0.00 1.99 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.71 1.26 7.81 142 V 8.10 4.05 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 0.85 0.00 0.00 1.10 0.00 0.00 143 S 9.47 4.69 0.00 3.82 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 0.00 144 V 7.73 4.76 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 1.11 0.00 0.00 0.87 0.00 0.00 145 V 8.15 3.11 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 0.79 0.00 0.00 0.91 0.00 0.00 *146 A 8.39 4.12 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 * Residues marked with a * may have inaccurate shift predictions.