NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-4 F 4.6313 8.1827 119.0080 56.4610 39.8585 174.5941 -3 Q 3.9251 8.5388 116.7990 60.0222 29.1717 177.3123 -2 S 4.1432 9.0716 113.1904 61.4294 63.3282 174.6603 -1 N 4.4307 7.7321 114.8989 56.1165 38.3543 176.7832 0 A 4.0081 7.5668 116.9245 53.1636 17.8907 177.9533 -2 A 3.9932 9.0016 121.2905 55.6294 18.6282 177.8603 -1 K 4.0107 7.6221 116.5989 59.2165 32.5543 178.1832 0 S 4.1581 7.6368 108.8245 58.9636 62.5907 174.7533 5 R 4.0710 7.9176 120.1594 59.1948 29.8181 178.6887 6 L 3.9687 7.9484 118.2663 57.8420 41.5637 179.0096 7 L 3.9055 7.8942 119.4299 58.1162 42.0418 178.3245 8 L 3.9090 7.9124 119.4975 58.4606 42.0304 178.7729 9 S 4.1468 8.6217 115.6869 62.1684 62.1047 176.5446 10 E 4.1600 8.4302 120.7708 60.3315 29.5084 181.1117 11 L 4.2162 8.0375 118.3323 58.3801 41.6367 179.5079 12 L 4.0370 8.0921 118.9197 57.8077 41.2585 179.2635 13 D 4.3792 7.8727 118.1721 57.5625 40.8494 178.5119 14 Q 4.1535 7.5624 117.0554 57.9983 28.9859 177.6081 15 L 4.3505 7.8133 118.2939 54.6970 42.4112 177.3646 16 S 4.2627 7.0422 114.3638 58.1312 63.6395 173.2187 17 F 4.9236 7.3483 115.5831 55.5730 40.8243 173.2326 18 A 4.7339 8.8423 121.8854 51.5481 20.2563 176.3720 19 L 5.2900 8.4876 121.8252 53.7037 46.2032 174.5840 20 C 4.9057 9.4327 125.8514 58.0224 35.4051 172.2682 21 I 4.9492 8.8721 127.2763 59.7745 39.2779 175.0620 22 V 4.9188 8.8251 119.5665 59.2083 35.5478 175.5178 23 R 4.5322 8.9736 125.2570 56.0300 31.2995 176.6995 24 N 4.3812 8.3613 117.8891 53.7631 37.4984 175.3070 25 D 4.2928 7.5982 117.6582 53.2749 39.7605 176.7183 26 Y 3.7982 7.4252 115.7799 58.5813 36.4806 169.1001 27 V 4.1039 7.3660 120.5918 62.3976 32.3126 175.0407 28 I 4.2652 9.1641 129.6246 61.7613 37.4844 176.3271 29 V 4.0623 8.7985 126.9299 63.9839 33.1570 175.6947 30 K 4.8379 7.6997 119.5880 54.9907 35.9856 175.0964 31 V 4.7826 8.1473 123.4190 59.9940 34.4638 173.7152 32 N 4.2146 9.0344 121.6631 53.9763 39.5274 175.7108 33 E 4.1126 9.0305 122.0818 59.7625 29.6266 178.6776 34 Y 4.0621 7.9986 118.0598 60.4320 39.1381 177.4732 35 F 4.0751 8.2574 121.1817 61.2505 39.7054 176.4902 36 E 4.1451 8.2541 118.0973 59.8055 29.1829 179.7755 37 S 4.1928 7.9463 112.0482 60.5339 62.9577 175.5503 38 R 4.3069 7.3032 119.1655 54.9140 30.7967 175.7485 39 V 4.4384 6.9047 112.6709 58.7637 34.8352 176.7738 40 I 3.4732 7.8387 114.6440 63.6513 37.4730 176.8105 41 F 4.7680 6.5911 116.3392 56.7530 39.9334 174.1783 42 D 5.1575 8.4645 120.9737 51.1268 41.9461 177.2020 43 G 3.8476 9.4796 112.4086 49.7503 0.0000 175.2376 44 E 4.1423 7.9064 113.8491 59.2156 29.6169 181.3074 45 T 4.0814 7.7749 113.3641 63.6243 67.7560 174.0336 *47 Q 4.0187 8.0301 121.7224 57.2385 29.7501 174.8797 48 G 3.9018 9.2313 113.3157 46.1289 0.0000 173.1456 49 K 4.6020 7.5268 117.0109 53.2645 36.0338 175.0734 50 N 5.0091 8.4914 119.7372 53.3953 40.1382 176.0332 51 I 3.9169 8.8655 129.7574 64.7506 36.8954 178.5539 52 L 4.1294 8.8095 120.1428 57.7218 41.1388 179.3149 53 E 4.1348 8.1007 117.4031 58.9709 29.7017 178.5681 54 L 3.8965 7.6359 118.1485 56.0818 42.9764 177.1946 55 F 5.1503 8.2014 116.9400 55.2407 39.8054 173.8349 56 P 4.5267 0.0000 0.0000 65.4110 31.4865 178.7458 57 E 4.2541 8.3724 115.6462 57.8022 29.5772 177.1927 58 S 4.8556 8.5667 114.0240 57.7126 65.4204 175.7179 59 A 4.0651 8.3578 123.4239 55.5067 18.0814 179.0116 60 D 4.3037 8.2538 116.5178 57.8959 40.9578 178.5733 61 Y 4.0317 7.9847 118.8987 60.7622 38.9522 177.6246 62 L 3.7740 7.9816 119.8709 57.7992 41.6909 179.5613 63 K 3.8564 8.4462 119.7702 59.3871 32.0980 178.8660 64 R 3.8374 7.7456 118.6010 59.1274 29.9355 178.7566 65 K 3.7727 7.7280 118.2573 59.5293 32.0555 179.5101 66 I 3.7840 8.1117 120.4770 64.4957 37.0419 178.3337 67 D 4.4395 8.5996 120.2439 57.3779 40.5243 178.6836 68 T 3.8258 7.9754 116.1811 66.7614 68.1366 176.0670 69 A 4.2494 7.6394 123.1874 54.7824 18.1664 179.7731 70 L 3.9516 7.7294 115.9824 57.4109 41.6897 179.3380 71 V 4.0922 7.7575 111.3290 62.5075 32.3489 177.3948 72 I 4.1821 7.8417 110.0388 59.5906 38.3356 175.1507 73 E 3.8840 7.8201 118.5090 56.9676 27.3127 174.1502 74 S 4.6429 7.4605 109.6155 56.7700 65.7321 172.8342 75 S 4.8145 8.3915 119.5532 58.3196 64.2732 173.2188 76 S 4.8656 9.0584 114.4109 56.9447 66.7573 172.7084 77 F 5.4437 8.6485 123.0470 56.9538 42.0497 173.4678 78 S 4.7070 8.2811 119.3085 57.0083 66.5589 174.2235 79 S 5.4985 8.5084 115.3453 57.4821 63.9689 173.8393 80 W 4.2628 9.3464 132.1257 57.4008 30.1873 175.8894 81 E 4.1948 8.1153 126.5780 57.8513 29.6197 177.1861 82 Q 3.9814 6.5550 121.5021 55.5323 29.9631 176.1716 83 K 4.0622 8.7687 126.6452 56.9929 31.8373 174.8294 84 P 4.5330 0.0000 0.0000 62.0987 31.3035 175.5263 85 H 3.5292 8.4958 121.1976 54.4060 29.5002 175.4921 86 L 3.7605 6.6954 125.3781 56.9927 41.7974 177.1653 87 L 4.5123 6.8853 117.2324 52.1129 44.4139 174.7200 88 P 4.5304 0.0000 0.0000 62.9245 31.4305 175.6002 89 F 4.5265 7.4767 122.3438 57.9130 40.7090 176.3234 *100 E 4.1666 8.2348 121.0096 56.1987 30.2777 175.6783 101 Q 4.3076 7.6604 125.3130 54.9755 30.7429 174.4042 *103 Y 4.8244 7.9176 116.0236 57.4890 39.8891 173.8320 104 Q 5.1243 8.7097 117.8568 54.4018 31.9642 174.4981 105 N 5.4557 9.3671 119.8621 51.5025 42.1104 173.4528 106 L 5.3796 9.2042 123.7678 53.3079 45.7626 174.6451 107 E 5.3041 9.3302 126.5220 54.4599 32.7999 174.2642 108 V 4.8609 8.7366 126.9857 61.2378 34.1658 174.1518 109 I 4.9286 8.7500 129.0308 58.6353 40.0302 173.5925 110 P 4.7178 0.0000 0.0000 62.8283 32.5142 176.0112 111 I 4.5337 8.6189 121.8516 59.9284 40.2849 174.6629 112 H 4.7009 8.8794 124.8365 55.1963 29.7465 175.9055 113 S 4.4773 9.3095 122.7724 58.2014 63.8158 175.8185 114 E 3.9345 9.0840 120.4781 60.1553 29.3491 179.1563 115 D 4.5685 8.3323 116.9470 56.4957 39.8517 178.0681 116 G 3.6465 7.9243 111.0020 45.6598 0.0000 174.7820 117 T 3.8216 7.8873 110.9558 61.7675 69.0682 173.3787 118 I 4.4538 8.1877 125.4566 61.0853 36.8239 175.0415 119 E 4.5265 8.5491 125.5694 56.6023 31.8585 175.8587 120 H 5.3057 8.0347 115.1677 53.9609 33.6924 172.7024 121 V 4.8810 8.8458 113.5084 59.7808 35.5522 174.3025 122 C 4.9949 9.3816 124.6167 58.4382 33.3976 172.2499 123 L 5.3995 9.2772 125.2918 53.2448 45.2214 175.2695 124 C 5.4426 9.1171 120.3032 58.0184 32.4548 173.0004 125 V 4.9116 8.9388 123.8200 61.4264 33.5676 173.7625 126 Y 5.1186 9.3737 125.8744 56.4440 40.8278 174.3010 127 D 5.1514 8.7512 122.4154 52.7091 42.5988 175.9238 128 V 4.3649 8.5356 123.4660 61.3117 34.5211 175.0339 129 T 4.5813 8.2514 122.7080 62.9661 71.7399 174.6556 130 I 4.2392 8.9515 129.1404 60.2846 38.0268 172.9890 131 Q 3.9838 8.6528 114.8777 57.4896 27.9049 169.1884 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 *-4 F 8.18 4.63 0.00 2.22 2.29 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 -3 Q 8.54 3.93 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.72 6.82 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 -2 S 9.07 4.14 0.00 3.87 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 -1 N 7.73 4.43 0.00 2.78 2.87 0.00 0.00 7.06 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 0 A 7.57 4.01 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 -2 A 9.00 3.99 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 -1 K 7.62 4.01 0.00 1.79 1.87 0.00 0.61 0.00 0.00 1.71 0.00 0.00 2.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.43 7.81 0 S 7.64 4.16 0.00 3.60 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 0.00 5 R 7.92 4.07 0.00 1.98 1.97 0.00 3.37 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.67 0.00 6 L 7.95 3.97 0.00 1.95 1.73 0.99 0.53 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 7 L 7.89 3.91 0.00 1.84 1.93 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 8 L 7.91 3.91 0.00 1.88 1.83 0.93 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 9 S 8.62 4.15 0.00 3.91 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 10 E 8.43 4.16 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.22 0.00 11 L 8.04 4.22 0.00 1.87 1.74 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.09 4.04 0.00 1.69 1.71 0.93 0.95 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 13 D 7.87 4.38 0.00 2.80 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.56 4.15 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.88 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 15 L 7.81 4.35 0.00 1.65 1.77 0.93 0.66 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 16 S 7.04 4.26 0.00 3.06 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 17 F 7.35 4.92 0.00 2.80 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 18 A 8.84 4.73 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 19 L 8.49 5.29 0.00 1.54 1.51 1.13 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 20 C 9.43 4.91 0.00 2.38 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 21 I 8.87 4.95 1.85 0.00 0.00 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 1.20 0.89 0.95 0.00 0.00 22 V 8.83 4.92 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 0.76 0.00 0.00 1.04 0.00 0.00 23 R 8.97 4.53 0.00 1.98 2.01 0.00 3.05 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.45 0.00 24 N 8.36 4.38 0.00 2.62 2.77 0.00 0.00 6.87 9.28 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 25 D 7.60 4.29 0.00 2.74 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 26 Y 7.43 3.80 0.00 3.42 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 27 V 7.37 4.10 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 0.97 0.00 0.00 1.06 0.00 0.00 28 I 9.16 4.27 1.86 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.55 0.84 0.00 0.00 29 V 8.80 4.06 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 0.71 0.00 0.00 1.01 0.00 0.00 30 K 7.70 4.84 0.00 1.79 1.52 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.40 7.81 31 V 8.15 4.78 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 0.69 0.00 0.00 0.58 0.00 0.00 32 N 9.03 4.21 0.00 2.97 3.12 0.00 0.00 6.40 8.49 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 33 E 9.03 4.11 0.00 2.06 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 2.42 2.40 0.00 34 Y 8.00 4.06 0.00 2.91 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 35 F 8.26 4.08 0.00 3.21 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 36 E 8.25 4.15 0.00 2.31 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 2.51 2.69 0.00 37 S 7.95 4.19 0.00 3.95 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.30 4.31 0.00 1.42 1.71 0.00 2.80 0.00 0.00 2.40 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.23 0.00 39 V 6.90 4.44 2.22 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 0.67 0.00 0.00 1.38 0.00 0.00 40 I 7.84 3.47 1.52 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 -0.36 0.71 0.00 0.00 41 F 6.59 4.77 0.00 3.25 2.98 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 42 D 8.46 5.16 0.00 2.91 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 43 G 9.48 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 44 E 7.91 4.14 0.00 2.04 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 2.27 2.17 0.00 45 T 7.77 4.08 4.36 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 1.16 0.00 0.00 *47 Q 8.03 4.02 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.40 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 48 G 9.23 3.90 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 0.00 0.00 0.00 49 K 7.53 4.60 0.00 1.67 1.54 0.00 1.64 0.00 0.00 1.56 0.00 0.00 2.76 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.34 1.30 7.81 50 N 8.49 5.01 0.00 2.80 2.87 0.00 0.00 7.00 7.86 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 51 I 8.87 3.92 2.06 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.17 1.30 0.00 0.00 52 L 8.81 4.13 0.00 1.70 1.66 0.03 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.10 4.13 0.00 2.03 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 2.30 2.39 0.00 54 L 7.64 3.90 0.00 1.46 0.80 0.66 -0.33 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 55 F 8.20 5.15 0.00 3.32 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 56 P 0.00 4.53 0.00 2.26 2.36 0.00 3.96 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.01 0.00 57 E 8.37 4.25 0.00 2.08 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 0.00 2.36 2.40 0.00 58 S 8.57 4.86 0.00 4.25 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 0.00 59 A 8.36 4.07 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 60 D 8.25 4.30 0.00 2.79 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 61 Y 7.98 4.03 0.00 2.88 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 62 L 7.98 3.77 0.00 2.07 1.74 1.14 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.45 3.86 0.00 1.68 1.69 0.00 1.40 0.00 0.00 1.47 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.05 7.81 64 R 7.75 3.84 0.00 1.87 1.84 0.00 3.11 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 65 K 7.73 3.77 0.00 1.66 1.60 0.00 1.45 0.00 0.00 1.27 0.00 0.00 2.38 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.67 0.75 7.81 66 I 8.11 3.78 2.05 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.65 1.06 0.00 0.00 67 D 8.60 4.44 0.00 2.78 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 T 7.98 3.83 4.36 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 1.19 0.00 0.00 69 A 7.64 4.25 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 70 L 7.73 3.95 0.00 1.82 1.73 0.86 0.93 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 71 V 7.76 4.09 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 0.82 0.00 0.00 1.02 0.00 0.00 72 I 7.84 4.18 1.88 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 1.71 0.67 0.91 0.00 0.00 73 E 7.82 3.88 0.00 2.14 2.11 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 2.28 2.24 0.00 74 S 7.46 4.64 0.00 3.82 3.65 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 75 S 8.39 4.81 0.00 4.09 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 76 S 9.06 4.87 0.00 3.87 3.95 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 77 F 8.65 5.44 0.00 3.01 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 78 S 8.28 4.71 0.00 3.91 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 79 S 8.51 5.50 0.00 4.15 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 0.00 80 W 9.35 4.26 0.00 3.51 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 81 E 8.12 4.19 0.00 1.82 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 2.32 2.50 0.00 82 Q 6.55 3.98 0.00 0.93 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.35 0.00 83 K 8.77 4.06 0.00 1.81 1.72 0.00 1.86 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.36 1.01 7.81 84 P 0.00 4.53 0.00 2.24 2.16 0.00 3.69 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 2.14 2.04 0.00 85 H 8.50 3.53 0.00 2.91 2.87 0.00 5.71 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 L 6.70 3.76 0.00 1.03 0.83 0.13 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 87 L 6.89 4.51 0.00 1.42 1.26 0.59 0.41 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 88 P 0.00 4.53 0.00 1.99 1.99 0.00 3.52 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.84 0.00 89 F 7.48 4.53 0.00 3.01 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 *100 E 8.23 4.17 0.00 2.05 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.91 0.00 101 Q 7.66 4.31 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.53 0.00 0.00 0.00 0.00 0.00 2.47 2.31 0.00 *103 Y 7.92 4.82 0.00 3.21 3.15 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 0.00 104 Q 8.71 5.12 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 105 N 9.37 5.46 0.00 2.67 2.29 0.00 0.00 6.36 7.14 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 0.00 106 L 9.20 5.38 0.00 2.03 1.52 1.18 0.06 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 0.00 107 E 9.33 5.30 0.00 2.64 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 0.00 2.39 2.69 0.00 108 V 8.74 4.86 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 1.01 0.00 0.00 0.91 0.00 0.00 109 I 8.75 4.93 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.96 0.00 0.00 110 P 0.00 4.72 0.00 1.96 2.01 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 111 I 8.62 4.53 2.00 0.00 0.00 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 1.25 1.04 0.93 0.00 0.00 112 H 8.88 4.70 0.00 3.15 3.34 0.00 5.70 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 0.00 113 S 9.31 4.48 0.00 3.95 3.80 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 0.00 114 E 9.08 3.93 0.00 1.98 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 2.24 1.92 0.00 115 D 8.33 4.57 0.00 2.69 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 0.00 116 G 7.92 3.65 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 0.00 0.00 0.00 117 T 7.89 3.82 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 1.20 0.00 0.00 118 I 8.19 4.45 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.46 0.87 0.00 0.00 119 E 8.55 4.53 0.00 1.78 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 0.00 2.18 2.36 0.00 120 H 8.03 5.31 0.00 3.07 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.85 4.88 2.20 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 0.65 0.00 0.00 0.97 0.00 0.00 122 C 9.38 4.99 0.00 3.01 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 0.00 123 L 9.28 5.40 0.00 1.66 1.64 1.05 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 124 C 9.12 5.44 0.00 2.89 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.94 4.91 2.12 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 0.99 0.00 0.00 1.12 0.00 0.00 126 Y 9.37 5.12 0.00 2.91 2.83 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 0.00 127 D 8.75 5.15 0.00 2.45 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 0.00 0.00 0.00 0.00 128 V 8.54 4.36 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 0.00 0.00 0.72 0.00 0.00 0.58 0.00 0.00 129 T 8.25 4.58 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 1.22 0.00 0.00 130 I 8.95 4.24 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 1.16 0.67 0.91 0.00 0.00 131 Q 8.65 3.98 0.00 2.22 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.62 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 * Residues marked with a * may have inaccurate shift predictions.