NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3786 8.3049 120.3198 54.8547 32.9764 174.7665 2 K 4.3264 8.3304 124.2830 55.1163 33.7482 174.4208 3 K 5.1909 10.3606 126.8473 54.7645 35.5736 174.3810 4 I 5.1215 8.9603 127.2298 59.4288 40.6779 174.0523 5 L 5.1316 9.0086 128.2314 53.2627 44.7218 174.5385 6 L 5.1126 9.2565 129.3128 53.7743 43.8585 174.8444 7 L 5.5184 9.3806 126.6525 53.0704 45.0534 175.2321 8 N 5.3823 9.2121 120.4235 51.7392 42.1951 175.1493 9 G 4.2202 9.0638 113.7347 43.6399 0.0000 170.7632 10 P 4.2999 0.0000 0.0000 64.5689 31.4022 176.5493 11 N 4.3797 9.5774 116.7651 53.7972 37.8486 176.3441 12 L 4.0966 7.4752 118.8987 57.1303 41.8134 178.6619 13 N 4.4861 7.9849 114.6435 54.9434 37.6567 175.5124 14 M 4.2688 7.9736 118.4379 55.7037 32.6958 176.1133 15 L 4.1709 7.6579 120.7204 56.3883 42.0566 178.2157 16 G 4.2129 8.9838 110.6539 45.7968 0.0000 173.8468 17 K 4.3564 7.9089 118.6580 57.0297 33.3687 177.5157 18 R 3.8419 7.5957 117.8692 58.1310 29.9608 177.3860 *22 I 4.0135 8.0766 122.1348 61.3396 39.6977 176.3851 23 Y 4.3963 9.0943 114.9249 58.2856 39.7701 175.5942 24 G 4.0972 8.0888 104.7172 43.1638 0.0000 173.6388 25 S 4.0946 8.3345 114.0618 60.6124 62.5086 174.6794 26 Q 4.1471 8.0731 121.3535 56.6679 29.3433 176.1770 27 T 4.9940 8.5248 116.9206 59.0755 72.3983 175.5279 28 L 3.7809 8.1102 121.6094 58.2548 41.9394 178.5095 29 S 4.2850 7.8321 113.8850 60.7941 62.2479 175.5448 30 D 4.2917 7.8091 121.0469 57.5969 40.5515 179.0548 31 I 3.5351 7.3605 119.4693 64.2078 36.8862 178.3611 32 E 3.5839 8.0059 119.5516 59.3724 29.1117 179.4730 33 Q 3.8473 7.9653 118.2470 59.2022 28.7735 178.3679 34 H 4.0403 8.2581 119.3166 59.1824 29.8923 177.1011 35 L 3.9657 8.1128 122.3501 57.9359 41.8943 178.7341 36 Q 4.0082 8.2026 119.6634 59.2011 29.0657 178.0326 37 Q 3.9860 8.3065 119.4279 59.1724 28.4802 178.9096 38 S 4.0494 7.9976 113.7501 61.2375 62.3813 176.0853 39 A 3.9867 8.1074 123.3840 55.4333 18.1966 179.6917 40 Q 4.6905 8.5845 117.7377 58.5436 28.5927 178.5539 41 A 4.2197 8.1155 120.1143 53.8154 18.4221 177.8511 42 Q 4.4544 7.4594 114.7665 55.4212 29.4200 176.2103 43 G 3.7761 8.4887 105.9336 45.7959 0.0000 172.9776 44 Y 4.8261 8.0519 115.8824 55.8359 42.0713 174.4316 45 E 4.9765 8.8488 120.8653 54.9861 32.1720 175.0743 46 L 5.2917 8.4038 124.1805 53.8325 45.2488 174.9449 47 D 5.2495 9.2301 125.9059 52.8491 44.0510 174.7747 48 Y 5.5112 7.6704 117.2324 55.9317 41.5519 174.0637 49 F 4.9869 9.1433 121.1859 57.4980 43.4784 172.6085 50 Q 5.3783 7.6356 124.1950 54.0283 31.9783 173.3940 51 A 4.4611 8.3029 125.2912 51.0614 22.3011 175.5165 52 N 4.7589 8.7867 115.5959 53.0056 39.2995 175.8367 53 G 4.5061 7.6830 104.5075 42.1326 0.0000 173.7219 54 E 3.8167 8.6283 121.0686 58.9761 29.4413 179.2895 55 E 3.8523 8.1088 118.8322 59.4691 29.8385 178.8619 56 S 4.2047 8.1054 114.5198 61.7389 63.0244 176.6521 57 L 4.2184 7.9593 121.0960 57.9281 41.3103 179.6696 58 I 3.6033 8.2371 120.1571 64.3850 37.0089 178.2622 59 N 4.1990 8.3073 117.5779 56.2473 38.0960 177.4939 60 R 3.6317 7.4959 119.1818 59.1646 30.3708 178.3612 61 I 3.8368 7.6495 119.7923 64.6503 37.0810 178.1264 62 H 4.2877 8.3897 117.3354 58.9639 28.2862 177.8897 63 Q 4.1083 8.0183 118.6407 58.2646 28.9438 177.7113 64 A 4.3252 7.7667 120.2002 51.6257 18.6928 176.8800 65 F 4.5166 7.4780 120.5317 59.7894 39.6481 175.1596 66 Q 3.4810 8.8349 125.0365 56.2531 26.0868 173.3867 67 N 4.9773 8.1146 112.3373 51.9736 38.8097 174.3240 68 T 4.6881 7.8613 115.4596 62.1213 71.0702 173.3661 69 D 4.8897 8.8877 124.9699 55.2070 42.2948 176.4348 70 F 4.8496 7.9437 118.9961 57.0847 43.1135 172.5578 71 I 5.1824 8.4215 125.3824 59.6281 40.7909 174.4189 72 I 5.1593 8.9934 127.2172 59.6918 39.6748 174.4846 73 I 5.1403 9.0645 127.3132 59.2780 41.7606 173.4608 74 N 5.4966 9.4346 128.4671 50.4566 39.8752 172.9994 75 P 4.5614 0.0000 0.0000 62.5831 33.1527 177.9435 76 G 3.7090 8.5356 108.7347 46.2834 0.0000 175.8174 77 A 4.1864 8.4109 121.5878 55.0496 18.7525 179.4908 78 F 4.8564 7.8557 114.3136 60.3034 38.7449 177.3656 79 T 3.9901 8.0727 113.1219 64.9704 66.8838 175.1027 80 H 4.9464 8.2096 116.8056 56.7593 29.2467 175.8483 81 T 4.6753 8.0706 107.9239 61.2308 70.4108 173.9139 82 S 4.4040 8.4920 118.0513 56.9249 61.2998 174.2484 83 V 3.3734 7.7054 127.6614 65.0392 31.3427 177.3381 84 A 3.8631 7.6580 120.4427 55.1954 18.2536 179.5202 85 I 3.6205 7.7575 118.3498 64.0953 37.1009 178.5645 86 R 3.8376 7.6050 119.3717 59.7567 29.9538 178.4638 87 D 4.3775 8.3634 118.3988 56.8991 40.5643 178.7470 88 A 3.9581 7.8454 121.6966 55.1392 17.1013 179.6552 89 L 3.8491 7.9143 117.5761 57.9022 41.4718 179.8392 90 L 4.3219 8.0348 118.8143 57.6304 41.3317 179.3490 91 A 3.9223 7.9882 120.0484 54.5894 18.3828 179.1467 92 V 3.6701 7.3756 108.2758 60.4270 32.8114 175.9897 93 S 3.7399 7.5282 114.4570 59.9715 60.8367 172.7810 94 I 4.4934 7.1120 119.5541 58.3964 39.4500 174.6557 95 P 4.5011 0.0000 0.0000 63.1251 32.3969 175.1979 96 F 5.7103 8.0140 115.1088 54.7318 42.0310 172.5712 97 I 4.8232 8.6238 119.2205 59.2447 41.1375 173.3702 98 E 5.1298 8.8595 130.1798 54.9867 31.4406 174.7168 99 V 4.8329 8.7520 126.3112 61.4305 35.2373 173.8474 100 H 4.9579 8.8593 123.0463 54.1410 32.6870 174.3447 101 L 3.9921 8.7876 123.2869 57.6490 42.3833 177.8329 102 S 4.7806 8.0248 111.1432 56.8108 64.8736 173.3023 103 N 4.5993 8.3945 119.6453 52.5587 37.9314 175.9977 104 V 3.6645 8.1761 120.2606 64.3109 31.8036 177.4961 105 H 4.3524 8.2573 115.2677 57.1755 28.7899 175.7029 106 A 4.6470 7.8147 121.4857 51.7569 19.4678 177.4746 107 R 4.7680 7.3111 117.1189 56.0654 31.9409 175.6172 108 E 3.9567 8.1572 120.7469 56.5446 30.3666 175.9473 109 P 3.7704 0.0000 0.0000 65.6465 31.2046 178.8262 110 F 4.4107 7.7772 112.2500 59.0519 37.7122 176.5822 111 R 3.7391 6.9977 117.0110 57.0157 30.1781 176.7770 112 H 4.4955 7.9404 116.0530 57.3543 29.2171 174.7440 113 H 4.8407 7.5251 118.8481 54.2994 31.2460 173.7643 114 S 4.8652 7.8260 118.9064 57.1518 65.3393 173.0450 115 Y 4.7583 8.9499 123.1007 58.0333 38.4754 176.2440 116 L 4.8361 8.2189 120.5936 56.0449 44.1601 178.7401 117 S 4.2503 8.4373 114.5696 61.7686 62.7983 176.2051 118 D 4.4427 8.1467 117.3580 55.1852 39.4091 176.9859 119 V 4.1941 7.7211 111.2710 60.9132 32.5130 175.6892 120 A 2.7974 7.2157 122.9664 50.6693 19.2430 177.8019 121 K 4.0270 8.4235 122.0708 59.4715 32.9353 176.8356 122 G 4.0284 7.3570 104.5163 45.5473 0.0000 171.9484 123 V 5.0988 8.0886 118.5644 61.0436 35.0609 174.5046 124 I 4.6994 8.7919 127.3546 59.5929 40.2345 174.2020 125 C 5.1336 8.7334 121.5539 57.6834 32.1359 174.5812 126 G 3.9918 9.2339 110.9769 45.5387 0.0000 173.4941 127 L 4.5718 7.7957 117.8282 53.7730 42.6516 178.5520 128 G 3.8680 8.2040 108.7187 45.9299 0.0000 175.0912 129 A 4.2497 8.5205 119.0376 55.1302 18.3652 179.9535 130 K 4.0544 8.0926 116.5557 58.9623 32.0204 179.3406 131 G 3.6145 7.9882 106.5457 47.9377 0.0000 175.4044 132 Y 4.1283 7.8496 118.9125 60.8407 37.8492 178.1279 133 D 4.3702 7.8068 119.4401 57.6812 40.9565 178.2985 134 Y 4.4092 7.5003 116.9928 60.9884 37.7338 178.3855 135 A 4.0944 8.1892 121.8937 55.0722 18.4479 179.4649 136 L 3.8528 8.1245 118.8654 58.2336 42.2095 178.5472 137 D 4.2798 8.2027 118.0271 57.4099 41.0704 178.1617 138 F 4.0913 8.7438 122.2188 60.5017 39.3439 176.7545 139 A 2.5800 7.9812 120.6754 54.8716 18.0868 179.6687 140 I 3.0485 7.4366 118.3466 64.3190 36.9870 178.8177 141 S 4.0165 7.7910 114.9956 61.4522 62.6134 176.5283 142 E 3.7310 7.7895 122.2449 59.0839 29.2199 179.2826 143 L 4.1260 7.9135 118.9478 57.6141 41.3943 179.4877 144 Q 4.2203 7.9573 117.3609 58.3206 28.6081 178.4410 145 K 4.1122 7.5845 119.3090 59.4455 32.2338 176.9891 146 I 3.9660 7.2113 121.5247 61.5671 37.0652 175.7598 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 8.30 4.38 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.47 0.00 2 K 8.33 4.33 0.00 2.15 1.94 0.00 1.92 0.00 0.00 1.95 0.00 0.00 3.24 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.61 1.55 7.81 3 K 10.36 5.19 0.00 1.84 1.82 0.00 1.61 0.00 0.00 1.95 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.44 7.81 4 I 8.96 5.12 1.95 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.62 1.04 0.00 0.00 5 L 9.01 5.13 0.00 1.80 1.58 1.03 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.26 5.11 0.00 1.89 1.80 1.11 0.32 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 7 L 9.38 5.52 0.00 1.65 1.64 0.95 0.65 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 8 N 9.21 5.38 0.00 2.60 2.67 0.00 0.00 6.58 7.17 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 9 G 9.06 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 10 P 0.00 4.30 0.00 1.84 1.64 0.00 3.78 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.44 0.00 11 N 9.58 4.38 0.00 2.88 2.99 0.00 0.00 6.90 6.28 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 12 L 7.48 4.10 0.00 1.75 1.68 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.98 4.49 0.00 2.79 3.08 0.00 0.00 6.07 7.66 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 14 M 7.97 4.27 0.00 2.10 2.30 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.64 0.00 15 L 7.66 4.17 0.00 1.69 1.58 0.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.98 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 0.00 0.00 0.00 0.00 17 K 7.91 4.36 0.00 1.86 1.86 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.67 1.52 7.81 18 R 7.60 3.84 0.00 1.82 1.78 0.00 3.26 0.00 0.00 3.25 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 *22 I 8.08 4.01 1.42 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 1.27 0.40 0.03 0.00 0.00 23 Y 9.09 4.40 0.00 2.96 3.01 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 24 G 8.09 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 25 S 8.33 4.09 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 26 Q 8.07 4.15 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.59 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 27 T 8.52 4.99 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 28 L 8.11 3.78 0.00 1.86 1.62 0.76 0.68 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 29 S 7.83 4.29 0.00 3.86 3.78 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 30 D 7.81 4.29 0.00 2.94 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 31 I 7.36 3.54 1.67 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.56 0.26 0.00 0.00 32 E 8.01 3.58 0.00 1.45 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 2.02 2.28 0.00 33 Q 7.97 3.85 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.80 0.00 0.00 0.00 0.00 0.00 2.43 2.45 0.00 34 H 8.26 4.04 0.00 3.18 3.40 0.00 5.58 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.11 3.97 0.00 1.93 1.61 1.04 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 8.20 4.01 0.00 2.37 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.56 0.00 0.00 0.00 0.00 0.00 2.54 2.66 0.00 37 Q 8.31 3.99 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.57 0.00 0.00 0.00 0.00 0.00 2.38 2.61 0.00 38 S 8.00 4.05 0.00 3.82 3.93 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 0.00 0.00 0.00 39 A 8.11 3.99 1.47 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 40 Q 8.58 4.69 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.44 0.00 41 A 8.12 4.22 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 42 Q 7.46 4.45 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.11 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 43 G 8.49 3.78 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 0.00 0.00 0.00 44 Y 8.05 4.83 0.00 3.07 2.84 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 45 E 8.85 4.98 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.26 0.00 46 L 8.40 5.29 0.00 1.68 1.58 0.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 D 9.23 5.25 0.00 2.64 2.48 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 0.00 0.00 0.00 0.00 48 Y 7.67 5.51 0.00 2.93 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 F 9.14 4.99 0.00 3.13 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 50 Q 7.64 5.38 0.00 1.95 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.52 0.00 0.00 0.00 0.00 0.00 2.27 2.07 0.00 51 A 8.30 4.46 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.79 4.76 0.00 2.72 2.81 0.00 0.00 6.64 7.65 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 53 G 7.68 4.51 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 0.00 0.00 0.00 54 E 8.63 3.82 0.00 1.83 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.47 0.00 55 E 8.11 3.85 0.00 2.02 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 2.38 2.39 0.00 56 S 8.11 4.20 0.00 4.08 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 7.96 4.22 0.00 1.79 1.81 1.26 1.16 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 58 I 8.24 3.60 1.82 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.62 0.00 0.00 59 N 8.31 4.20 0.00 2.84 2.79 0.00 0.00 6.68 8.34 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 60 R 7.50 3.63 0.00 0.76 1.75 0.00 2.91 0.00 0.00 2.27 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.46 0.00 61 I 7.65 3.84 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.89 0.90 0.00 0.00 62 H 8.39 4.29 0.00 3.27 3.28 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 Q 8.02 4.11 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.54 0.00 64 A 7.77 4.33 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 65 F 7.48 4.52 0.00 2.96 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 66 Q 8.83 3.48 0.00 1.82 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.58 0.00 0.00 0.00 0.00 0.00 1.42 1.16 0.00 67 N 8.11 4.98 0.00 2.79 2.82 0.00 0.00 6.68 7.02 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 68 T 7.86 4.69 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 1.36 0.00 0.00 69 D 8.89 4.89 0.00 2.66 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 70 F 7.94 4.85 0.00 3.12 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 71 I 8.42 5.18 1.94 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 1.30 0.96 0.98 0.00 0.00 72 I 8.99 5.16 2.07 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 1.36 0.93 1.13 0.00 0.00 73 I 9.06 5.14 1.93 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 1.26 1.98 1.06 0.00 0.00 74 N 9.43 5.50 0.00 2.82 3.01 0.00 0.00 6.84 7.22 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 75 P 0.00 4.56 0.00 2.41 2.36 0.00 3.77 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.06 0.00 76 G 8.54 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 77 A 8.41 4.19 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 78 F 7.86 4.86 0.00 3.27 3.01 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 79 T 8.07 3.99 4.35 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 0.94 0.00 0.00 80 H 8.21 4.95 0.00 3.36 3.47 0.00 5.65 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.07 4.68 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 1.35 0.00 0.00 82 S 8.49 4.40 0.00 3.54 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 83 V 7.71 3.37 1.77 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 0.89 0.00 0.00 -0.10 0.00 0.00 84 A 7.66 3.86 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 85 I 7.76 3.62 1.80 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.39 0.84 0.00 0.00 86 R 7.60 3.84 0.00 2.03 2.13 0.00 3.26 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 87 D 8.36 4.38 0.00 2.78 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 88 A 7.85 3.96 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.91 3.85 0.00 1.65 1.45 -0.12 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.03 4.32 0.00 1.84 1.72 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.99 3.92 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 92 V 7.38 3.67 2.25 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 0.72 0.00 0.00 1.02 0.00 0.00 93 S 7.53 3.74 0.00 4.04 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 94 I 7.11 4.49 1.90 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 1.43 0.92 0.91 0.00 0.00 95 P 0.00 4.50 0.00 1.66 2.09 0.00 3.62 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 1.77 1.98 0.00 96 F 8.01 5.71 0.00 3.14 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 97 I 8.62 4.82 2.15 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 1.28 1.86 1.24 0.00 0.00 98 E 8.86 5.13 0.00 2.31 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 2.25 2.33 0.00 99 V 8.75 4.83 1.72 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 0.30 0.00 0.00 0.83 0.00 0.00 100 H 8.86 4.96 0.00 3.05 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.79 3.99 0.00 1.41 1.27 0.33 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 102 S 8.02 4.78 0.00 4.04 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 0.00 103 N 8.39 4.60 0.00 2.76 2.77 0.00 0.00 6.88 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 0.00 104 V 8.18 3.66 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 0.58 0.00 0.00 0.64 0.00 0.00 105 H 8.26 4.35 0.00 3.26 3.24 0.00 5.64 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 A 7.81 4.65 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 0.00 107 R 7.31 4.77 0.00 1.60 1.61 0.00 3.20 0.00 0.00 3.16 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.72 0.00 108 E 8.16 3.96 0.00 1.16 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 2.36 2.27 0.00 109 P 0.00 3.77 0.00 2.11 2.04 0.00 3.50 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 2.08 2.07 0.00 110 F 7.78 4.41 0.00 3.19 3.29 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 0.00 111 R 7.00 3.74 0.00 1.62 1.83 0.00 2.90 0.00 0.00 3.13 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.57 0.00 112 H 7.94 4.50 0.00 3.26 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 7.53 4.84 0.00 3.22 3.13 0.00 5.70 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 0.00 114 S 7.83 4.87 0.00 3.82 3.63 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 0.00 115 Y 8.95 4.76 0.00 3.08 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 0.00 116 L 8.22 4.84 0.00 1.85 1.95 0.99 0.79 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 0.00 117 S 8.44 4.25 0.00 3.90 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 0.00 118 D 8.15 4.44 0.00 2.80 2.81 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 0.00 0.00 0.00 119 V 7.72 4.19 2.23 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 0.78 0.00 0.00 1.30 0.00 0.00 120 A 7.22 2.80 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 0.00 121 K 8.42 4.03 0.00 1.82 1.93 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.31 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.86 1.62 7.81 122 G 7.36 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 0.00 123 V 8.09 5.10 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 0.95 0.00 0.00 0.91 0.00 0.00 124 I 8.79 4.70 1.84 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.61 0.97 0.00 0.00 125 C 8.73 5.13 0.00 2.92 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 9.23 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 0.00 127 L 7.80 4.57 0.00 1.74 1.83 1.06 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.20 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.52 4.25 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 0.00 130 K 8.09 4.05 0.00 1.84 1.34 0.00 1.69 0.00 0.00 1.86 0.00 0.00 3.07 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.41 1.45 7.81 131 G 7.99 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 0.00 132 Y 7.85 4.13 0.00 3.12 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 0.00 133 D 7.81 4.37 0.00 2.46 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 0.00 134 Y 7.50 4.41 0.00 3.14 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.19 4.09 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.12 3.85 0.00 1.83 1.88 0.87 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.20 4.28 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 0.00 138 F 8.74 4.09 0.00 3.25 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 0.00 139 A 7.98 2.58 0.83 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 0.00 140 I 7.44 3.05 1.75 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.58 0.71 0.00 0.00 141 S 7.79 4.02 0.00 3.88 4.05 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 0.00 142 E 7.79 3.73 0.00 1.72 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 1.47 2.29 0.00 143 L 7.91 4.13 0.00 1.78 1.86 0.91 1.12 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 0.00 144 Q 7.96 4.22 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.95 0.00 0.00 0.00 0.00 0.00 2.49 2.73 0.00 145 K 7.58 4.11 0.00 1.87 1.86 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.68 1.57 7.81 146 I 7.21 3.97 2.02 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.