NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 A 4.0995 8.1185 123.5821 51.9875 20.3917 176.7593 *2 A 3.9885 8.1272 121.1166 51.4965 20.0575 173.8376 3 E 4.7075 8.9607 118.7432 57.0033 31.7651 174.4762 4 C 5.4599 8.3892 120.3295 56.4897 42.3284 173.4066 5 S 5.0807 8.1177 111.2917 55.7834 66.0009 173.3758 6 V 4.3257 7.5662 119.5554 60.5314 34.8875 173.4061 7 D 4.9741 8.6061 123.7428 53.0633 41.4659 175.1595 8 I 4.3278 8.0914 125.3232 60.1208 38.8567 175.3511 9 Q 5.2019 9.0347 125.2858 54.2159 32.5861 174.7558 10 G 4.4740 8.7532 107.6302 44.7674 0.0000 171.7299 11 N 5.5749 8.3005 122.9773 50.8401 40.4573 175.1932 12 D 4.5008 8.8172 117.3464 56.8028 40.9108 177.2977 13 Q 4.2370 8.1144 116.9132 55.2243 29.0998 175.0110 14 M 2.9999 7.8665 116.6067 55.8493 30.9325 176.4655 15 Q 4.6435 7.8211 114.1699 54.5605 32.1018 174.3879 16 F 5.6678 8.7634 118.3992 56.7912 39.8359 176.2408 17 N 4.5367 8.8866 119.9444 54.4995 37.7617 174.4905 18 T 4.8253 7.4876 113.0958 60.9881 70.8746 172.3774 19 N 5.4952 8.7201 118.6952 52.1470 39.5391 173.1320 20 A 5.3042 8.1601 119.3532 51.5615 22.3199 176.5545 21 I 4.8234 9.5752 122.7637 59.5731 41.4615 174.5040 22 T 4.8950 8.6291 115.8401 60.1007 71.3053 173.3762 23 V 4.0012 9.4478 120.0405 58.9738 33.9930 174.9391 24 D 4.6020 8.6780 125.5966 53.9886 41.3778 176.7295 25 K 3.9921 8.8840 127.2132 59.5082 32.2686 178.4089 26 S 4.2436 8.0080 112.3223 61.0402 63.0312 174.5744 27 C 4.4485 8.4566 119.0320 56.8155 34.7843 173.7089 28 K 4.0614 8.6373 122.6021 58.3851 33.1450 175.9038 29 Q 5.0340 7.5055 114.9081 54.5871 32.5390 174.2690 30 F 4.7610 8.4905 120.3022 57.1073 43.2039 172.8508 31 T 5.5939 8.1044 115.7532 58.6351 72.2144 173.0281 32 V 4.4872 7.8965 122.0496 59.8376 34.8274 173.7145 33 N 5.2395 8.7912 121.3409 51.3952 41.0809 173.1701 34 L 5.8472 10.0716 126.7453 52.5672 44.6390 175.2995 35 S 5.1769 8.6821 119.4274 56.9618 67.3484 172.3382 36 H 5.2631 9.1804 120.7171 52.0945 30.5890 171.7172 37 P 4.7274 0.0000 0.0000 62.3248 30.0560 176.3307 38 G 4.3915 8.0126 111.8064 46.3786 0.0000 173.7588 39 N 5.0464 8.9494 114.0240 53.8063 45.0960 174.7403 40 L 4.2347 8.4251 120.2716 52.8953 42.5476 175.0176 41 P 4.6034 0.0000 0.0000 62.4376 31.5457 177.0444 42 K 4.0543 8.5562 119.5762 58.9374 32.1905 177.3375 43 N 4.8043 8.1531 114.8477 54.5202 37.4986 175.6657 44 V 3.8902 7.3169 118.3219 63.8361 32.6906 176.2332 45 M 3.9514 8.0198 123.0526 53.7668 30.5868 176.0939 46 G 4.0884 6.4281 105.4880 46.1600 0.0000 171.2513 47 H 6.2615 9.4883 124.3248 53.0808 31.6516 173.5103 48 N 5.4418 9.2021 119.2114 51.2240 41.4805 173.0309 49 W 5.2344 8.9017 127.3580 55.8077 33.6793 173.7773 50 V 4.5932 8.3987 127.3986 60.7333 34.3411 173.8683 51 L 4.6299 7.9726 128.5458 52.9204 45.2145 175.1688 52 S 5.0413 7.9243 117.9317 58.1613 66.4908 176.5242 53 T 4.4840 8.1158 110.7913 61.2027 69.6551 175.3451 54 A 4.0443 8.3673 124.0242 55.1126 17.9864 179.6959 55 A 3.9413 8.0200 118.1214 55.0826 18.6807 178.4718 56 D 4.6737 7.6611 113.2860 54.4696 41.0870 177.9559 57 M 3.7241 7.8243 120.5507 59.4596 31.9448 176.9547 58 Q 4.0384 8.1190 119.7655 57.6042 29.1490 177.6864 59 G 3.8590 7.9447 105.4025 48.3541 0.0000 174.8100 60 V 3.5948 7.7399 120.4257 65.7280 31.2653 178.5660 61 V 3.6304 7.0426 115.3514 66.6946 31.5350 177.6293 62 T 3.9109 8.1046 115.9678 66.2108 68.2440 176.0099 63 D 4.0197 8.7550 121.3735 57.8277 40.9396 179.7222 64 G 3.8379 7.9398 107.2883 46.9467 0.0000 175.6458 65 M 4.0521 8.8369 120.9821 58.4298 32.3501 177.4443 66 A 4.1090 8.0331 119.2928 55.6173 18.7536 178.5144 67 S 4.3015 8.1740 111.6033 58.5964 63.5192 172.6528 68 G 3.7123 7.7751 107.5654 44.3127 0.0000 172.3823 69 L 3.3424 7.8253 119.7704 58.0739 41.8653 179.3318 70 D 4.4244 7.7585 115.0936 54.7628 39.8118 176.3394 71 K 4.2129 8.9244 121.2788 55.6841 32.4774 176.1838 72 D 4.5903 7.9698 115.2307 55.4335 38.6444 173.1679 73 Y 3.8100 7.4248 113.7295 57.7763 35.4804 169.5014 74 L 4.7629 7.6760 119.3707 52.6724 45.0237 175.8428 75 K 4.1895 8.5518 126.5440 55.2943 32.8344 174.4701 76 P 4.3713 0.0000 0.0000 63.5290 32.1801 175.8191 77 D 4.2464 8.4817 120.0761 55.4663 37.7026 174.9026 78 D 4.6327 7.7589 119.8145 52.8851 40.6845 176.3716 79 S 4.3858 8.4490 121.3335 59.8578 63.5332 175.8709 80 R 4.0646 7.9041 120.6933 58.5033 30.0486 177.1958 81 V 4.2106 7.2668 117.9476 60.8643 32.2365 176.1937 82 I 4.0606 8.1661 125.8218 63.8691 37.7926 175.9023 83 A 4.6213 7.4311 120.6106 51.7063 22.1810 174.8586 84 H 5.1524 8.4584 112.3971 55.4378 31.0359 173.6514 85 T 4.6573 9.1500 116.4945 61.0508 69.5304 173.1896 86 K 4.8741 8.5875 121.1151 54.5501 34.7062 176.1546 87 L 4.4330 8.4719 125.7826 56.1036 42.5071 176.1861 88 I 4.7840 9.5880 119.4825 59.1554 41.4450 174.5342 89 G 4.3760 9.9659 111.0999 43.7542 0.0000 172.5619 90 S 4.1947 7.6346 113.6251 59.9764 62.6861 175.2090 91 G 4.0097 9.1830 115.6463 45.3124 0.0000 173.5515 92 E 4.5376 8.0876 119.0680 55.9944 31.3318 175.5996 93 K 5.1495 8.1767 118.5925 56.0888 35.9960 174.7791 94 D 4.6606 9.3998 120.2379 54.2555 45.3326 174.2681 95 S 5.3104 8.6637 116.7125 57.7015 67.2129 174.1178 96 V 4.4650 8.3585 123.0198 60.1485 34.3907 174.5434 97 T 4.9466 8.6911 120.4949 62.0461 70.2684 173.2886 98 F 5.0216 8.5649 121.9686 54.9324 41.6585 174.5127 99 D 4.8171 8.5598 118.9559 53.4818 41.1049 178.0904 100 V 3.9401 8.1702 115.9509 62.7939 31.4942 178.0077 101 S 4.3886 7.8366 115.9040 60.2645 63.1141 175.4759 102 K 4.1631 8.0772 119.2370 58.2988 32.0831 177.4193 103 L 4.2213 7.1168 117.4762 53.7041 42.9047 176.1354 104 K 4.7938 9.5334 119.0863 54.6161 36.0185 176.2726 105 E 4.2232 8.7010 122.2628 57.7036 30.1996 175.4031 106 G 4.1827 9.0158 110.6664 45.6900 0.0000 173.8653 107 E 3.9153 7.1971 118.6966 55.5111 30.3003 175.1839 108 Q 4.3880 8.1749 126.3289 54.9116 31.0213 174.0470 109 Y 4.9208 7.9844 123.9819 56.8902 41.5718 174.5067 110 M 5.3706 9.3993 119.6667 53.9518 36.9086 174.3826 111 F 4.7676 7.9895 116.5433 55.5852 41.4626 174.7110 112 F 5.4288 7.3206 113.6129 57.5036 41.6778 171.2162 113 D 5.6087 8.9443 117.6886 53.3249 43.4164 177.1820 114 T 4.3825 8.9979 115.0419 62.1131 69.9912 175.0692 115 F 3.3355 8.2648 126.1469 57.3445 39.8171 172.4383 116 P 4.1931 0.0000 0.0000 64.4939 31.3824 176.6645 117 G 3.9860 8.9043 109.9900 46.2627 0.0000 173.4279 118 H 4.6452 8.1233 117.8307 56.9805 29.8336 177.0481 119 S 4.5129 8.1209 111.4355 59.7559 62.9988 174.7407 120 A 4.1689 7.9057 123.9405 54.1230 19.0135 177.8203 121 L 4.5776 7.7241 113.8741 55.1185 42.1515 176.9347 122 M 4.7460 7.7121 117.6633 53.4944 33.1353 173.6169 123 K 4.7959 6.9490 120.0331 55.5771 35.9165 175.0920 124 G 3.6138 6.7426 103.0386 46.4296 0.0000 171.7624 125 T 5.0359 7.9169 108.9084 59.7307 70.8361 172.7211 126 L 5.3518 8.7291 125.7064 53.8780 44.2368 174.9381 127 T 4.8093 9.9421 122.7962 61.8106 71.7859 172.9848 128 L 4.8625 8.5643 129.2498 53.6571 42.0850 176.1252 129 K 4.1678 8.4557 123.8668 57.3196 32.3471 175.1409 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 A 8.12 4.10 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 *2 A 8.13 3.99 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 3 E 8.96 4.71 0.00 2.01 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 2.20 2.23 0.00 4 C 8.39 5.46 0.00 2.68 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 5 S 8.12 5.08 0.00 3.48 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.57 4.33 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 0.78 0.00 0.00 0.85 0.00 0.00 7 D 8.61 4.97 0.00 2.48 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 8 I 8.09 4.33 1.54 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.18 0.46 0.00 0.00 9 Q 9.03 5.20 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 10 G 8.75 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.30 5.57 0.00 2.71 2.96 0.00 0.00 6.57 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 12 D 8.82 4.50 0.00 2.70 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 13 Q 8.11 4.24 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 14 M 7.87 3.00 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.15 0.00 15 Q 7.82 4.64 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.74 6.75 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 16 F 8.76 5.67 0.00 3.26 3.20 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 0.00 17 N 8.89 4.54 0.00 2.88 3.01 0.00 0.00 5.77 7.71 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 18 T 7.49 4.83 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 1.20 0.00 0.00 19 N 8.72 5.50 0.00 2.91 3.06 0.00 0.00 5.60 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 8.16 5.30 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 21 I 9.58 4.82 1.96 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.92 0.91 0.00 0.00 22 T 8.63 4.89 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 1.24 0.00 0.00 23 V 9.45 4.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 0.83 0.00 0.00 24 D 8.68 4.60 0.00 2.70 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 25 K 8.88 3.99 0.00 1.79 1.89 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.47 1.46 7.81 26 S 8.01 4.24 0.00 4.01 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 0.00 27 C 8.46 4.45 0.00 3.05 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 28 K 8.64 4.06 0.00 1.88 2.04 0.00 1.43 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.33 7.81 29 Q 7.51 5.03 0.00 2.02 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.66 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 30 F 8.49 4.76 0.00 2.76 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 0.00 0.00 0.00 0.00 31 T 8.10 5.59 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 0.95 0.00 0.00 32 V 7.90 4.49 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 0.05 0.00 0.00 -0.12 0.00 0.00 33 N 8.79 5.24 0.00 2.48 2.65 0.00 0.00 6.29 6.40 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 34 L 10.07 5.85 0.00 1.73 1.64 1.21 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.68 5.18 0.00 3.92 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 9.18 5.26 0.00 3.29 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.73 0.00 2.14 2.13 0.00 4.12 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 2.00 2.18 0.00 38 G 8.01 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 39 N 8.95 5.05 0.00 2.89 2.81 0.00 0.00 6.99 7.61 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 40 L 8.43 4.23 0.00 1.69 1.55 0.89 0.88 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 41 P 0.00 4.60 0.00 2.23 2.21 0.00 3.69 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 2.09 1.98 0.00 42 K 8.56 4.05 0.00 1.86 1.95 0.00 2.04 0.00 0.00 1.82 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.56 1.58 7.81 43 N 8.15 4.80 0.00 3.00 3.03 0.00 0.00 5.95 7.68 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 44 V 7.32 3.89 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 0.81 0.00 0.00 0.96 0.00 0.00 45 M 8.02 3.95 0.00 2.03 1.94 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.53 0.00 46 G 6.43 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 47 H 9.49 6.26 0.00 3.20 3.27 0.00 5.57 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 N 9.20 5.44 0.00 2.86 3.02 0.00 0.00 5.90 8.88 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 49 W 8.90 5.23 0.00 3.46 3.09 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 50 V 8.40 4.59 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 0.72 0.00 0.00 0.93 0.00 0.00 51 L 7.97 4.63 0.00 1.00 1.14 0.39 0.58 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 52 S 7.92 5.04 0.00 4.21 3.99 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 0.00 0.00 0.00 53 T 8.12 4.48 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 1.41 0.00 0.00 54 A 8.37 4.04 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 55 A 8.02 3.94 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 56 D 7.66 4.67 0.00 2.79 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 57 M 7.82 3.72 0.00 2.20 1.90 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.38 0.00 58 Q 8.12 4.04 0.00 2.10 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 59 G 7.94 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 7.74 3.59 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 1.22 0.00 0.00 1.05 0.00 0.00 61 V 7.04 3.63 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 0.81 0.00 0.00 0.55 0.00 0.00 62 T 8.10 3.91 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 63 D 8.75 4.02 0.00 2.77 2.76 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 0.00 0.00 0.00 64 G 7.94 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 65 M 8.84 4.05 0.00 1.88 2.29 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.54 0.00 66 A 8.03 4.11 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 67 S 8.17 4.30 0.00 3.87 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 68 G 7.78 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 0.00 0.00 0.00 69 L 7.83 3.34 0.00 1.52 1.56 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 70 D 7.76 4.42 0.00 2.76 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 71 K 8.92 4.21 0.00 1.72 1.70 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.39 7.81 72 D 7.97 4.59 0.00 2.90 2.82 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 73 Y 7.42 3.81 0.00 3.16 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 74 L 7.68 4.76 0.00 1.67 1.47 0.73 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 75 K 8.55 4.19 0.00 1.76 1.71 0.00 1.79 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.43 1.43 7.81 76 P 0.00 4.37 0.00 2.08 1.95 0.00 3.86 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 77 D 8.48 4.25 0.00 2.83 2.76 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 0.00 0.00 0.00 78 D 7.76 4.63 0.00 2.89 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.45 4.39 0.00 4.04 3.99 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 0.00 0.00 0.00 80 R 7.90 4.06 0.00 2.04 2.08 0.00 3.22 0.00 0.00 3.56 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.63 0.00 81 V 7.27 4.21 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 1.01 0.00 0.00 82 I 8.17 4.06 1.63 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 1.14 0.50 0.75 0.00 0.00 83 A 7.43 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 H 8.46 5.15 0.00 3.13 3.24 0.00 5.71 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 T 9.15 4.66 4.66 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 86 K 8.59 4.87 0.00 2.01 1.83 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.43 7.81 87 L 8.47 4.43 0.00 1.78 1.98 1.36 1.29 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 88 I 9.59 4.78 1.95 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.00 1.04 0.00 0.00 89 G 9.97 4.38 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 0.00 90 S 7.63 4.19 0.00 3.74 3.86 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 0.00 0.00 0.00 0.00 91 G 9.18 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 0.00 0.00 0.00 92 E 8.09 4.54 0.00 2.17 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 2.33 2.30 0.00 93 K 8.18 5.15 0.00 1.59 1.73 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.45 7.81 94 D 9.40 4.66 0.00 2.76 2.50 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 95 S 8.66 5.31 0.00 3.66 3.86 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 0.00 0.00 0.00 0.00 96 V 8.36 4.46 2.24 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 0.86 0.00 0.00 1.11 0.00 0.00 97 T 8.69 4.95 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 1.11 0.00 0.00 98 F 8.56 5.02 0.00 3.15 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 99 D 8.56 4.82 0.00 2.79 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 0.00 100 V 8.17 3.94 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 0.80 0.00 0.00 0.96 0.00 0.00 101 S 7.84 4.39 0.00 3.89 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 0.00 102 K 8.08 4.16 0.00 2.01 1.88 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.51 1.46 7.81 103 L 7.12 4.22 0.00 1.83 1.60 0.39 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 104 K 9.53 4.79 0.00 1.92 1.73 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.42 1.47 7.81 105 E 8.70 4.22 0.00 1.97 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 2.34 2.41 0.00 106 G 9.02 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.20 3.92 0.00 1.97 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 1.79 2.00 0.00 108 Q 8.17 4.39 0.00 2.03 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.31 2.28 0.00 109 Y 7.98 4.92 0.00 3.16 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 M 9.40 5.37 0.00 1.97 1.99 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 111 F 7.99 4.77 0.00 1.69 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 F 7.32 5.43 0.00 3.07 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 0.00 113 D 8.94 5.61 0.00 2.68 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.00 4.38 4.50 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 1.49 0.00 0.00 115 F 8.26 3.34 0.00 3.13 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.19 0.00 1.91 1.86 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.66 0.00 117 G 8.90 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 118 H 8.12 4.65 0.00 3.53 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 S 8.12 4.51 0.00 3.92 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 0.00 120 A 7.91 4.17 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 0.00 121 L 7.72 4.58 0.00 1.53 1.77 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 122 M 7.71 4.75 0.00 1.43 1.81 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.94 0.00 123 K 6.95 4.80 0.00 1.70 1.77 0.00 1.17 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.34 7.81 124 G 6.74 3.61 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 0.00 0.00 0.00 125 T 7.92 5.04 4.55 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 1.23 0.00 0.00 126 L 8.73 5.35 0.00 2.06 1.75 1.14 0.63 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 0.00 127 T 9.94 4.81 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 1.25 0.00 0.00 128 L 8.56 4.86 0.00 1.71 1.73 0.97 0.76 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 0.00 129 K 8.46 4.17 0.00 1.79 1.71 0.00 1.70 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.29 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.