NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.9454 8.2448 119.4444 56.1971 30.3644 173.9547 3 S 4.4923 8.5111 117.3007 56.4984 67.9317 171.8373 4 W 5.2196 9.4680 122.3936 56.4988 31.6011 174.7462 5 Y 5.3732 9.5011 118.7332 55.8147 42.7487 173.9780 6 L 4.4846 8.8354 124.3899 53.6301 43.8966 175.0227 7 L 4.9967 8.7492 126.9936 53.3664 44.5403 174.8778 8 Y 4.5542 8.9418 123.0560 56.0423 41.0717 174.2941 9 C 5.3027 7.7573 123.3966 57.4235 30.9260 173.9274 10 K 4.1330 8.6885 120.7883 56.6781 32.5372 178.3207 11 R 3.8718 8.6489 121.8690 59.5428 30.1324 177.3469 12 G 4.1570 7.8194 101.3817 44.7630 0.0000 172.6857 13 Q 4.4935 7.8038 116.7277 55.4478 28.8396 177.2859 14 L 3.8675 7.6914 124.1860 58.2380 42.2865 178.5421 15 Q 3.9450 8.0199 118.8778 59.3668 29.1129 178.3232 16 R 3.9002 7.9831 118.1473 59.3685 30.2181 178.7881 17 A 4.0771 8.3033 120.7863 55.1511 18.1853 179.4937 18 Q 3.9548 8.3948 118.3701 59.1905 29.0395 178.1197 19 E 3.9886 8.0949 119.4468 59.7109 29.4733 178.5885 20 H 4.0448 7.9993 117.4842 59.5533 29.7612 177.1657 21 L 4.0042 7.8743 118.2549 56.8402 41.4387 178.4953 22 E 4.5840 7.4343 119.3881 57.7569 30.0101 178.3446 23 R 4.0225 8.1145 117.9007 58.0259 30.6622 177.1875 24 Q 4.1845 7.7253 119.1816 54.8546 29.8665 176.1985 25 A 4.1163 8.4364 124.3635 53.6467 18.1970 178.1470 26 V 3.8788 7.7538 117.3972 62.8595 33.1640 174.5969 27 N 5.1572 8.5338 124.2321 52.5095 39.8423 173.9459 28 C 5.5442 8.8241 121.1250 58.1301 31.5948 173.7490 29 L 4.5939 9.2576 123.7063 54.1938 44.6460 174.3674 30 A 5.1131 8.6641 129.1927 48.9580 19.2688 173.3548 31 P 4.4283 0.0000 0.0000 63.1972 32.9226 175.1062 32 M 5.1676 8.4896 121.0514 53.6023 35.4980 174.8787 33 I 4.5196 9.6062 120.3363 59.6087 41.5668 174.1223 34 T 4.9231 8.5032 125.8004 62.6858 69.3130 174.0709 35 L 4.8382 9.1185 126.1551 52.8893 46.4431 176.0777 36 E 4.5894 8.7810 121.1729 55.3769 29.3262 175.3561 37 K 4.6733 8.3708 125.5959 54.2464 36.1614 175.1564 38 I 4.4041 8.2214 125.0935 60.6526 36.8207 175.6010 39 V 3.9392 8.1308 127.6396 63.9801 32.5582 176.4226 40 R 4.5313 7.0637 116.2273 54.4381 30.6578 176.6808 41 G 4.0239 8.2013 105.3136 45.3341 0.0000 171.6591 42 K 4.5282 7.5136 119.4703 54.9310 34.4181 177.0266 43 R 4.5002 8.0619 122.3144 54.9449 28.8931 177.0690 44 T 4.2192 7.4565 115.8785 62.9371 70.0729 176.1372 45 A 4.2951 8.6710 128.3387 52.7630 19.3714 176.6239 46 V 4.5208 9.4835 113.5837 59.9367 37.1212 174.3489 47 S 5.1812 8.6503 116.2078 56.7822 63.7765 172.5329 48 E 4.8570 8.9374 125.0524 53.3220 33.1943 173.5200 49 P 4.2165 0.0000 0.0000 62.7225 31.5121 176.4167 50 L 3.7977 8.7974 127.7456 57.8301 42.1349 177.9889 51 F 4.9711 7.1983 120.6488 55.4028 40.7549 175.0048 52 P 4.3670 0.0000 0.0000 57.8364 34.3012 177.6963 53 N 4.2405 8.5781 121.6451 55.4348 38.4898 173.1009 54 Y 4.8233 8.1582 117.2209 56.9934 40.1355 175.3080 55 L 4.7158 8.6574 123.1951 53.8558 45.6013 175.2637 56 F 4.9706 9.4645 126.0234 57.6646 40.5721 174.8616 57 V 5.1249 10.0829 122.3782 61.3516 35.0199 173.4345 58 E 4.8696 8.9779 129.0474 53.5332 31.6298 174.6210 59 F 5.0604 8.0896 120.5152 56.4376 42.1068 171.9639 60 D 5.1805 8.7404 117.8643 51.6681 42.6025 174.6521 61 P 4.3659 0.0000 0.0000 65.5437 31.4758 176.7574 62 E 4.2940 8.0382 116.4238 57.2110 30.3166 177.0624 63 V 3.7849 7.7929 117.6884 65.2904 31.8793 175.9882 64 I 4.3591 8.3734 121.5716 60.5961 40.0441 173.7221 65 H 4.9531 9.3363 121.4135 55.1001 30.3115 177.7181 66 T 3.0469 7.6396 114.9652 65.1945 68.6939 176.4778 67 T 3.7381 7.0532 117.3280 66.7457 69.2882 175.9029 68 T 3.9470 8.2403 118.0020 66.8748 68.4810 176.7412 69 I 3.5685 7.7272 121.1623 64.5384 36.7683 177.7862 70 N 4.2953 8.0172 116.1547 56.7564 38.9858 176.4402 71 A 4.1584 7.6041 120.4987 54.0697 18.6062 177.8976 72 T 3.5180 7.1698 114.2549 63.8716 68.8495 173.5400 73 R 3.9928 8.3596 125.7368 58.7169 30.3831 176.6192 74 G 4.4433 8.9684 110.6419 44.3528 0.0000 172.6733 75 V 4.2701 7.5799 120.3625 61.7796 32.0648 175.2791 76 S 4.5203 8.8015 123.3795 60.8652 62.7783 173.3583 77 H 4.9102 7.7250 112.4147 55.0655 31.4608 171.8939 78 F 5.1192 8.9558 117.4263 56.1823 40.8369 176.2471 79 V 4.2402 8.7045 121.4977 62.7856 33.0039 175.3036 80 R 5.1936 8.3466 122.8388 53.2994 33.2530 173.7152 81 F 4.1173 8.6014 125.6618 59.4027 39.5398 175.3615 82 G 3.6048 8.9964 115.0854 46.2691 0.0000 172.9715 83 A 4.0109 8.5295 129.4042 55.2378 18.4465 178.2221 84 S 4.1524 8.0018 108.3836 61.0085 62.4272 172.7523 85 P 4.3114 0.0000 0.0000 62.7127 31.7967 175.7444 86 A 4.4872 8.3195 124.1622 51.9913 19.2786 177.2842 87 I 4.3184 9.0698 122.4066 60.7408 39.2482 175.4144 88 V 4.8289 7.9333 124.7504 59.8660 32.3955 173.6015 89 P 4.5700 0.0000 0.0000 61.9203 32.3117 176.7898 90 S 4.1476 8.7486 117.1896 58.1646 63.3284 174.7913 91 A 4.0292 8.8102 127.7328 55.6952 17.7629 180.2876 92 V 3.7042 7.8856 116.0916 65.5842 31.3468 178.4124 93 I 3.8499 7.6144 119.3905 64.4314 37.1975 177.4043 94 H 3.5462 7.9829 118.5120 59.1355 29.8092 176.6721 95 Q 4.2059 7.5228 120.5645 58.5133 28.5040 179.5264 96 L 3.8658 7.0686 117.7022 56.9478 41.5296 179.4181 97 S 4.0262 7.0181 112.9994 59.8243 62.5910 175.2430 98 V 3.3320 7.0344 119.5054 64.3806 30.3865 176.4140 99 Y 4.3511 6.6545 118.8852 59.5273 40.8415 178.3634 100 K 4.0337 7.9446 119.5796 57.0151 30.5731 177.4887 *115 K 4.3089 9.2361 129.8121 57.3790 33.8463 177.0565 116 V 3.7751 7.6083 110.8354 63.1041 31.9774 177.7482 117 I 4.1195 7.5205 118.9511 61.8428 39.2084 177.8720 118 I 3.8413 7.6713 121.2159 64.6863 37.0529 178.3231 119 T 3.6066 7.7564 116.2731 66.5749 68.2052 176.5115 120 E 4.2715 7.5062 118.8589 57.8675 29.8302 178.1897 121 G 4.0271 7.7842 106.0937 46.6957 0.0000 175.6959 122 A 4.1881 8.0150 123.8805 55.0253 18.6886 179.1939 123 F 4.0424 8.8118 110.3148 61.9189 38.9978 177.6168 124 E 4.1074 9.2691 121.4367 60.0214 30.0484 178.9919 125 G 3.5178 8.1144 105.4940 48.1813 0.0000 175.8057 126 F 3.7422 8.6163 121.0466 59.4327 38.6454 177.6595 127 Q 4.0834 7.8487 118.5644 59.2431 29.1173 177.9961 128 A 4.1324 7.9814 121.7716 55.1935 18.2762 179.7350 129 I 3.6918 7.5191 118.3565 63.9752 36.8934 177.6623 130 F 5.0705 7.9548 116.2148 58.1542 39.1114 176.0833 131 T 4.4501 7.4837 113.7650 62.9816 69.7142 173.6659 132 E 4.2736 7.7447 122.3669 54.5019 29.6968 173.8293 133 P 4.4257 0.0000 0.0000 65.3488 31.4995 176.7812 134 D 5.1586 7.9818 117.3105 51.2727 42.8365 177.4371 135 G 3.6927 8.5215 108.5731 48.1000 0.0000 175.4328 136 E 4.1791 8.4481 121.2603 59.2543 29.5464 178.7695 137 A 4.0539 7.8242 120.3849 55.1896 18.3898 179.8702 138 R 3.9849 7.7400 115.3192 59.2936 29.9979 179.4581 139 S 4.0321 8.7049 115.5671 61.7382 62.8672 176.4156 140 M 4.0048 7.7461 121.0672 58.6606 31.8142 178.7706 141 L 3.9740 7.7671 118.6439 57.7778 41.6281 179.5229 142 L 3.6774 8.0706 120.6313 57.7136 41.8563 178.9666 143 L 3.8288 7.9006 119.2210 57.8675 41.5527 179.2038 144 N 4.2940 8.6106 116.7091 56.3094 38.4578 177.3014 145 L 3.8953 7.8828 121.6005 57.8229 41.9750 179.1948 146 I 3.7108 7.8837 120.4565 64.1503 37.2075 177.6462 147 N 4.4879 8.4604 118.2811 57.3422 38.8070 176.3022 148 K 3.9397 8.3944 119.7103 59.1262 31.9150 178.7515 149 E 3.9320 8.5041 118.2405 59.9258 29.5860 180.0872 150 I 3.4748 8.0066 119.6301 64.3881 37.1825 178.4347 151 K 3.7525 7.7633 118.9488 60.0392 31.6643 178.7828 152 H 4.3668 8.0253 117.4127 59.1932 29.7667 177.3572 153 S 4.1758 7.9458 116.8155 62.1997 62.6843 175.9991 154 V 3.6203 7.7855 121.1851 64.2424 30.9954 177.5154 155 K 3.8783 8.0208 121.5162 58.9951 32.4178 176.5569 156 N 4.5258 7.6359 119.6658 53.2205 38.7540 174.3904 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 2 Q 8.24 4.95 0.00 1.89 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 3 S 8.51 4.49 0.00 3.43 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 4 W 9.47 5.22 0.00 3.36 3.40 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 5 Y 9.50 5.37 0.00 3.23 3.21 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 0.00 6 L 8.84 4.48 0.00 1.53 1.50 0.51 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.75 5.00 0.00 1.49 1.33 0.70 -0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.94 4.55 0.00 2.79 2.16 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 9 C 7.76 5.30 0.00 2.65 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 10 K 8.69 4.13 0.00 1.87 1.77 0.00 2.03 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.44 7.81 11 R 8.65 3.87 0.00 1.79 1.99 0.00 3.20 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 12 G 7.82 4.16 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 0.00 13 Q 7.80 4.49 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 14 L 7.69 3.87 0.00 1.63 1.62 0.95 0.79 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 15 Q 8.02 3.95 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.67 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 16 R 7.98 3.90 0.00 1.88 1.96 0.00 3.18 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 1.70 0.00 17 A 8.30 4.08 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 18 Q 8.39 3.95 0.00 2.20 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 19 E 8.09 3.99 0.00 2.23 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 2.35 2.58 0.00 20 H 8.00 4.04 0.00 3.25 3.52 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.87 4.00 0.00 1.69 1.70 0.93 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.43 4.58 0.00 2.14 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 2.33 2.53 0.00 23 R 8.11 4.02 0.00 1.82 1.96 0.00 3.31 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.77 0.00 24 Q 7.73 4.18 0.00 1.98 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.87 0.00 0.00 0.00 0.00 0.00 2.27 2.23 0.00 25 A 8.44 4.12 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 26 V 7.75 3.88 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 1.05 0.00 0.00 0.84 0.00 0.00 27 N 8.53 5.16 0.00 2.38 2.72 0.00 0.00 6.86 8.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 C 8.82 5.54 0.00 2.93 2.96 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 29 L 9.26 4.59 0.00 2.05 1.68 0.71 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.66 5.11 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 31 P 0.00 4.43 0.00 2.03 1.94 0.00 3.78 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 32 M 8.49 5.17 0.00 1.84 1.92 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 33 I 9.61 4.52 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 2.05 0.90 0.00 0.00 34 T 8.50 4.92 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 35 L 9.12 4.84 0.00 1.49 1.50 0.95 0.73 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 36 E 8.78 4.59 0.00 1.84 1.92 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 2.25 2.28 0.00 37 K 8.37 4.67 0.00 1.80 1.61 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.38 7.81 38 I 8.22 4.40 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 1.30 0.68 0.91 0.00 0.00 39 V 8.13 3.94 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 0.77 0.00 0.00 0.93 0.00 0.00 40 R 7.06 4.53 0.00 1.85 1.78 0.00 3.25 0.00 0.00 3.34 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 41 G 8.20 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.51 4.53 0.00 1.77 1.71 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.62 7.81 43 R 8.06 4.50 0.00 1.79 1.90 0.00 3.25 0.00 0.00 3.88 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 44 T 7.46 4.22 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 45 A 8.67 4.30 1.21 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 0.00 0.00 0.00 46 V 9.48 4.52 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 0.68 0.00 0.00 0.97 0.00 0.00 47 S 8.65 5.18 0.00 3.81 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 48 E 8.94 4.86 0.00 2.03 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 2.16 2.24 0.00 49 P 0.00 4.22 0.00 1.99 2.06 0.00 3.70 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 2.03 2.09 0.00 50 L 8.80 3.80 0.00 1.47 0.69 0.64 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 51 F 7.20 4.97 0.00 3.19 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 52 P 0.00 4.37 0.00 2.33 1.55 0.00 3.83 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 53 N 8.58 4.24 0.00 1.44 2.36 0.00 0.00 6.79 7.48 0.00 0.00 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 Y 8.16 4.82 0.00 2.91 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 55 L 8.66 4.72 0.00 1.72 1.48 1.02 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 56 F 9.46 4.97 0.00 3.52 3.50 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 57 V 10.08 5.12 2.49 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 1.37 0.00 0.00 1.10 0.00 0.00 58 E 8.98 4.87 0.00 1.16 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.47 0.00 59 F 8.09 5.06 0.00 3.06 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 60 D 8.74 5.18 0.00 2.80 2.61 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 0.00 0.00 0.00 0.00 61 P 0.00 4.37 0.00 2.12 2.20 0.00 3.74 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.18 0.00 62 E 8.04 4.29 0.00 1.93 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 2.23 2.26 0.00 63 V 7.79 3.78 2.30 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 0.89 0.00 0.00 0.97 0.00 0.00 64 I 8.37 4.36 1.61 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.62 0.78 0.00 0.00 65 H 9.34 4.95 0.00 3.29 3.69 0.00 5.48 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.64 3.05 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 0.77 0.00 0.00 67 T 7.05 3.74 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 1.15 0.00 0.00 68 T 8.24 3.95 4.11 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 1.15 0.00 0.00 69 I 7.73 3.57 2.23 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.41 0.72 0.00 0.00 70 N 8.02 4.30 0.00 2.96 2.90 0.00 0.00 7.17 7.94 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 71 A 7.60 4.16 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 72 T 7.17 3.52 4.40 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 1.17 0.00 0.00 73 R 8.36 3.99 0.00 1.72 1.87 0.00 3.09 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 74 G 8.97 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 75 V 7.58 4.27 2.33 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 0.63 0.00 0.00 0.90 0.00 0.00 76 S 8.80 4.52 0.00 4.02 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 77 H 7.73 4.91 0.00 3.30 3.39 0.00 5.49 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.96 5.12 0.00 2.98 3.16 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 79 V 8.70 4.24 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 0.85 0.00 0.00 1.12 0.00 0.00 80 R 8.35 5.19 0.00 1.89 2.09 0.00 3.36 0.00 0.00 2.40 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.62 0.00 81 F 8.60 4.12 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 82 G 9.00 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.53 4.01 1.26 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 0.00 0.00 84 S 8.00 4.15 0.00 3.84 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 85 P 0.00 4.31 0.00 2.39 2.04 0.00 3.78 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 86 A 8.32 4.49 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 87 I 9.07 4.32 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.16 1.00 0.00 0.00 88 V 7.93 4.83 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 0.76 0.00 0.00 0.53 0.00 0.00 89 P 0.00 4.57 0.00 2.19 2.12 0.00 3.96 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.19 0.00 90 S 8.75 4.15 0.00 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 0.00 91 A 8.81 4.03 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 92 V 7.89 3.70 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 1.04 0.00 0.00 0.94 0.00 0.00 93 I 7.61 3.85 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 1.15 0.00 0.00 94 H 7.98 3.55 0.00 2.94 2.90 0.00 5.70 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.52 4.21 0.00 2.31 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.55 0.00 0.00 0.00 0.00 0.00 2.60 2.63 0.00 96 L 7.07 3.87 0.00 1.06 0.66 1.07 1.09 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 97 S 7.02 4.03 0.00 3.42 3.42 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 98 V 7.03 3.33 0.67 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 0.65 0.00 0.00 0.40 0.00 0.00 99 Y 6.65 4.35 0.00 3.22 3.18 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 0.00 100 K 7.94 4.03 0.00 1.76 1.29 0.00 1.93 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.64 7.81 *115 K 9.24 4.31 0.00 1.80 1.81 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.43 7.81 116 V 7.61 3.78 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 0.76 0.00 0.00 0.94 0.00 0.00 117 I 7.52 4.12 1.44 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 1.35 0.92 0.66 0.00 0.00 118 I 7.67 3.84 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 1.70 0.87 0.89 0.00 0.00 119 T 7.76 3.61 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 120 E 7.51 4.27 0.00 1.95 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 2.35 2.48 0.00 121 G 7.78 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.01 4.19 1.58 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 0.00 0.00 123 F 8.81 4.04 0.00 3.43 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 0.00 124 E 9.27 4.11 0.00 2.16 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 0.00 2.47 2.53 0.00 125 G 8.11 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 8.62 3.74 0.00 3.41 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 Q 7.85 4.08 0.00 2.11 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.98 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 128 A 7.98 4.13 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 0.00 129 I 7.52 3.69 1.38 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.07 1.00 0.00 0.00 130 F 7.95 5.07 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 T 7.48 4.45 4.32 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 1.23 0.00 0.00 132 E 7.74 4.27 0.00 2.06 2.03 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 2.32 2.54 0.00 133 P 0.00 4.43 0.00 2.09 2.14 0.00 3.70 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 134 D 7.98 5.16 0.00 2.87 2.77 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 0.00 135 G 8.52 3.69 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 0.00 136 E 8.45 4.18 0.00 2.17 2.16 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 2.46 2.55 0.00 137 A 7.82 4.05 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 0.00 138 R 7.74 3.98 0.00 2.24 2.18 0.00 3.27 0.00 0.00 3.51 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 139 S 8.70 4.03 0.00 4.18 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 0.00 140 M 7.75 4.00 0.00 2.01 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.03 0.00 141 L 7.77 3.97 0.00 1.87 1.60 0.93 0.43 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 0.00 142 L 8.07 3.68 0.00 1.11 1.19 0.75 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.90 3.83 0.00 1.79 1.64 0.94 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 144 N 8.61 4.29 0.00 2.61 2.83 0.00 0.00 6.72 6.68 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 0.00 145 L 7.88 3.90 0.00 1.54 1.70 0.85 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 146 I 7.88 3.71 2.03 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 1.43 0.66 0.94 0.00 0.00 147 N 8.46 4.49 0.00 2.87 3.02 0.00 0.00 7.26 5.71 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 0.00 148 K 8.39 3.94 0.00 1.97 1.77 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.55 7.81 149 E 8.50 3.93 0.00 2.13 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 0.00 2.69 2.59 0.00 150 I 8.01 3.47 1.61 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 1.30 0.65 -0.50 0.00 0.00 151 K 7.76 3.75 0.00 2.08 1.96 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.40 0.00 0.00 0.00 0.00 1.88 2.01 7.81 152 H 8.03 4.37 0.00 3.11 3.51 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 S 7.95 4.18 0.00 3.88 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 0.00 154 V 7.79 3.62 2.03 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 1.07 0.00 0.00 0.79 0.00 0.00 155 K 8.02 3.88 0.00 1.94 1.92 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.57 7.81 156 N 7.64 4.53 0.00 2.68 2.57 0.00 0.00 6.87 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 * Residues marked with a * may have inaccurate shift predictions.