NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.3385 8.1749 117.3749 62.2576 69.9495 173.1987 2 P 4.1870 0.0000 0.0000 62.8235 31.5803 175.6040 3 Q 4.2157 8.4123 120.7281 57.4449 30.3989 174.6846 4 N 4.6023 7.3717 113.6742 51.8205 39.5794 175.1217 5 I 3.7107 8.3081 118.4768 64.2799 38.3535 177.2075 6 T 4.0266 8.0084 116.2076 66.6910 68.5141 175.3475 7 D 4.4501 8.6217 120.4720 57.3236 41.1044 178.4081 8 L 4.0020 7.9575 117.4587 55.8283 41.1943 177.9141 *10 A 4.3453 7.9164 118.4469 51.2253 20.0808 178.0970 11 E 4.0617 8.1937 114.5734 57.3288 29.9382 176.3257 12 Y 4.7076 7.5392 115.5212 56.1342 39.5650 175.0535 13 H 4.6502 8.6260 119.1590 56.4749 29.9904 175.0836 14 N 4.5360 8.9869 116.2375 54.7389 35.7983 173.8715 15 T 5.7145 7.4867 105.7090 59.4278 71.8277 172.8016 16 Q 4.6227 8.1323 118.3653 55.2056 32.2056 172.9799 17 I 4.6379 8.1814 121.0484 60.6543 38.7731 174.7827 18 H 4.8180 9.2552 124.0369 54.3443 31.2290 173.5153 19 T 4.6382 8.5151 120.1783 62.5403 68.9971 173.8277 20 L 4.1220 8.7673 127.0127 54.9105 43.4500 177.7369 21 N 4.1774 7.8241 114.3970 53.3290 36.3001 172.6817 22 D 4.8058 7.8780 114.9365 52.7315 45.0042 174.4301 23 K 4.9886 8.3654 122.0879 55.9750 33.4445 176.5794 24 I 3.4833 8.1081 120.7739 61.1895 37.7485 176.0499 25 F 4.7574 8.8775 127.9745 60.2638 40.2642 175.8734 26 S 4.4439 7.7521 109.6574 56.6995 66.7577 172.7140 27 Y 4.8034 7.7305 121.7202 56.1311 41.3081 174.3544 28 T 4.5945 8.1763 123.2599 61.4975 72.2281 172.8753 29 E 4.9887 8.4455 122.2481 54.6549 33.1916 174.4510 30 S 4.8091 8.9468 116.3531 56.3769 65.7495 174.0585 31 L 4.5880 8.4960 124.2744 55.1339 41.0652 176.3945 32 A 4.0908 7.8747 123.7787 51.8661 18.8775 177.7676 33 G 3.8361 8.4373 110.7720 46.9920 0.0000 174.1942 34 K 4.1035 8.7478 121.8609 56.7824 30.7470 176.3796 35 R 4.6755 7.9410 117.8204 55.7922 30.6928 176.6642 36 E 4.9761 8.3381 119.0461 55.0703 29.5317 176.0680 37 M 4.8457 8.0799 120.8852 53.8315 35.6362 173.2977 38 A 5.1110 8.4765 118.7348 50.1544 22.9932 175.1941 39 I 5.0577 8.5363 120.4440 59.3966 41.2709 174.7304 40 I 5.1278 8.9912 119.8074 59.2778 40.9650 174.4077 41 T 5.2707 8.5541 112.8244 60.2330 72.5582 172.6617 42 F 5.0358 8.8910 120.7518 55.4176 41.6721 176.9472 43 K 3.2939 9.0714 121.7913 59.4677 31.9790 177.6062 44 N 4.4185 8.0874 113.8476 53.7399 37.4121 175.4249 45 G 3.9345 8.3866 107.9756 45.0494 0.0000 174.0887 46 A 4.0026 8.3426 122.4528 52.7063 19.3233 176.6968 47 T 5.0572 7.8913 117.9611 61.7039 71.7897 173.5294 48 F 5.2924 9.2149 123.1532 55.7700 43.3157 173.7108 49 Q 5.1121 9.2802 119.0036 54.4885 31.9155 174.6472 50 V 4.3926 8.4990 121.1941 61.3674 32.5341 175.2167 51 E 4.3766 8.8720 127.6162 55.6463 30.2400 177.3626 52 V 3.9515 8.3071 121.8706 61.9725 32.1613 174.1845 53 P 4.3604 0.0000 0.0000 62.9845 32.0870 176.0068 54 G 4.1853 8.6675 109.4512 44.8686 0.0000 172.8741 55 S 4.2952 8.5639 113.0975 60.0766 63.0708 174.9290 56 Q 4.0369 7.8445 118.9474 57.6496 29.0250 174.9222 57 H 5.0567 7.7509 117.0876 54.2517 30.2753 175.1376 58 I 4.1762 8.6008 117.7292 59.8732 38.9992 176.3936 59 D 4.3601 8.7267 120.1247 57.6265 40.1485 178.4598 60 S 4.2575 8.0810 113.7932 61.0845 62.9637 176.0008 61 Q 4.2145 8.3208 121.6415 57.9798 28.4053 178.2467 62 K 3.8982 7.9514 120.2293 59.5421 32.1276 179.2999 63 K 4.0034 8.0588 117.8768 59.3983 31.9130 179.1481 64 A 4.0698 7.4750 117.8698 54.8856 18.2876 179.7297 65 I 3.6626 8.0735 118.8478 64.6398 37.1782 178.4240 66 E 3.9751 8.0052 119.0111 59.3960 29.2229 179.3966 67 R 3.8788 8.1426 118.7319 59.5555 30.0614 178.1147 68 M 4.0338 8.3458 118.2494 58.7893 32.2419 178.3709 69 K 4.1068 8.1084 118.4748 59.4603 32.1956 178.9866 70 D 4.3591 8.1388 119.2215 57.7002 40.7053 178.9695 71 T 3.8637 8.1615 116.3849 66.8137 68.4249 176.7584 72 L 4.0696 8.3119 121.1627 57.6477 41.5247 179.6198 73 R 2.9570 7.8704 118.7748 59.1420 29.9621 178.4939 74 I 3.6111 7.7881 118.2562 63.7044 37.9303 177.5999 75 A 3.9604 8.3229 122.2144 55.2706 18.3034 178.8081 76 Y 3.9474 8.1837 118.1674 61.0773 38.6647 178.5789 77 L 3.7844 7.9801 118.6893 57.1863 41.7678 178.6084 78 T 4.2175 7.7439 107.0229 60.5996 69.3033 174.3557 79 E 3.6435 7.6676 119.1468 57.2723 27.8328 174.4544 80 A 4.1732 7.7090 120.2002 51.7689 19.9044 177.8108 81 K 4.2926 8.6380 123.7094 56.2720 33.8164 175.7814 82 V 3.6912 8.8256 128.6348 62.7188 32.3334 175.3667 83 E 4.3767 9.4163 131.0352 57.2101 29.8402 175.8650 84 K 5.1006 8.5338 116.9906 54.4891 37.4322 174.5619 85 L 5.0208 8.6572 121.4510 53.1009 45.3313 175.1059 86 C 4.9114 8.7428 124.0215 58.1502 33.2793 172.8240 87 V 4.8213 8.5443 118.4841 59.3093 36.3069 174.4233 88 W 5.0972 9.4617 123.6685 55.9210 30.2475 176.4963 89 N 4.4834 9.1193 122.3586 52.4812 37.4728 175.1801 90 N 4.8448 8.2870 114.8555 52.8508 37.5444 174.5249 91 K 4.7645 7.7683 117.6969 55.1386 35.7828 175.0635 92 T 4.8819 8.1893 116.7127 61.0036 71.4720 172.5250 93 P 4.4586 0.0000 0.0000 62.5242 32.4433 175.8961 94 H 4.7448 9.0713 117.8208 56.0992 30.1412 174.0318 95 A 5.1988 8.9267 124.2671 50.5658 20.7727 176.5007 96 I 4.1994 9.0909 125.0058 61.6039 37.1247 175.8318 97 A 4.3873 8.7738 128.5993 53.0534 20.6547 176.4427 98 A 4.5537 7.2394 114.1503 51.0480 22.7677 175.2168 99 I 5.0400 8.1836 118.7476 59.1656 41.4952 174.5592 100 S 4.8556 9.1560 122.4328 56.7347 66.1387 172.5353 101 M 5.2330 8.4821 121.2274 53.6849 34.4069 174.8435 102 A 4.5592 8.1102 121.7909 50.8750 22.9780 175.8187 103 N 4.4265 8.6917 118.0448 53.8594 39.1234 174.9512 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 T 8.17 4.34 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 1.22 0.00 0.00 2 P 0.00 4.19 0.00 2.13 2.08 0.00 3.69 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 3 Q 8.41 4.22 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 4 N 7.37 4.60 0.00 2.87 2.87 0.00 0.00 5.91 7.76 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 5 I 8.31 3.71 1.83 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.75 0.87 0.00 0.00 6 T 8.01 4.03 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 1.19 0.00 0.00 7 D 8.62 4.45 0.00 2.64 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 8 L 7.96 4.00 0.00 1.83 1.79 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 *10 A 7.92 4.35 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 11 E 8.19 4.06 0.00 1.82 1.57 0.00 0.00 0.00 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 2.45 0.00 12 Y 7.54 4.71 0.00 2.90 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 13 H 8.63 4.65 0.00 3.39 3.31 0.00 5.94 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 N 8.99 4.54 0.00 3.27 3.11 0.00 0.00 6.39 7.05 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 15 T 7.49 5.71 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 16 Q 8.13 4.62 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 17 I 8.18 4.64 1.82 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 1.29 0.81 0.86 0.00 0.00 18 H 9.26 4.82 0.00 2.82 3.14 0.00 5.59 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.52 4.64 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 1.17 0.00 0.00 20 L 8.77 4.12 0.00 1.12 1.15 0.07 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 21 N 7.82 4.18 0.00 2.83 2.81 0.00 0.00 6.51 8.08 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 22 D 7.88 4.81 0.00 2.93 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 K 8.37 4.99 0.00 1.95 1.97 0.00 1.20 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.51 1.53 7.81 24 I 8.11 3.48 2.04 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.59 0.96 0.00 0.00 25 F 8.88 4.76 0.00 3.09 3.26 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 26 S 7.75 4.44 0.00 3.76 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.73 4.80 0.00 2.41 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 0.00 0.00 0.00 28 T 8.18 4.59 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 1.08 0.00 0.00 29 E 8.45 4.99 0.00 1.83 1.61 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 2.19 2.29 0.00 30 S 8.95 4.81 0.00 3.84 3.70 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 31 L 8.50 4.59 0.00 1.74 1.72 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 32 A 7.87 4.09 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 33 G 8.44 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 34 K 8.75 4.10 0.00 2.07 2.01 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.53 7.81 35 R 7.94 4.68 0.00 1.71 1.84 0.00 3.30 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.70 0.00 36 E 8.34 4.98 0.00 1.97 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 2.37 2.30 0.00 37 M 8.08 4.85 0.00 2.02 2.27 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.66 0.00 38 A 8.48 5.11 1.13 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 0.00 0.00 39 I 8.54 5.06 1.74 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 1.24 0.76 0.89 0.00 0.00 40 I 8.99 5.13 1.78 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 1.43 0.96 0.99 0.00 0.00 41 T 8.55 5.27 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 1.22 0.00 0.00 42 F 8.89 5.04 0.00 3.35 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 43 K 9.07 3.29 0.00 1.71 1.86 0.00 0.77 0.00 0.00 1.45 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.32 7.81 44 N 8.09 4.42 0.00 2.86 2.94 0.00 0.00 6.30 7.00 0.00 0.00 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 G 8.39 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 0.00 0.00 0.00 46 A 8.34 4.00 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 47 T 7.89 5.06 4.04 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 1.13 0.00 0.00 48 F 9.21 5.29 0.00 3.05 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 49 Q 9.28 5.11 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.61 2.36 0.00 50 V 8.50 4.39 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 1.00 0.00 0.00 1.01 0.00 0.00 51 E 8.87 4.38 0.00 1.97 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 2.49 2.25 0.00 52 V 8.31 3.95 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 0.98 0.00 0.00 1.01 0.00 0.00 53 P 0.00 4.36 0.00 2.08 1.95 0.00 3.73 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 2.02 2.06 0.00 54 G 8.67 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 S 8.56 4.30 0.00 3.96 3.98 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 56 Q 7.84 4.04 0.00 1.98 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.97 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 57 H 7.75 5.06 0.00 3.30 3.23 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 8.60 4.18 1.90 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 1.44 0.87 0.94 0.00 0.00 59 D 8.73 4.36 0.00 2.82 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.08 4.26 0.00 4.12 4.14 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 61 Q 8.32 4.21 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 62 K 7.95 3.90 0.00 1.85 1.86 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.61 1.64 7.81 63 K 8.06 4.00 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.51 7.81 64 A 7.47 4.07 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 65 I 8.07 3.66 2.01 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.85 0.90 0.00 0.00 66 E 8.01 3.98 0.00 2.11 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 2.54 2.47 0.00 67 R 8.14 3.88 0.00 1.90 2.10 0.00 3.11 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 68 M 8.35 4.03 0.00 2.32 2.14 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 69 K 8.11 4.11 0.00 2.05 1.97 0.00 1.77 0.00 0.00 1.68 0.00 0.00 3.18 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.66 7.81 70 D 8.14 4.36 0.00 2.92 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 71 T 8.16 3.86 4.43 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 1.23 0.00 0.00 72 L 8.31 4.07 0.00 1.89 1.93 1.04 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 73 R 7.87 2.96 0.00 1.27 1.84 0.00 2.99 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.11 0.00 74 I 7.79 3.61 1.83 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 1.42 1.14 0.96 0.00 0.00 75 A 8.32 3.96 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.18 3.95 0.00 3.10 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 77 L 7.98 3.78 0.00 1.57 1.64 0.88 1.25 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 78 T 7.74 4.22 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 1.18 0.00 0.00 79 E 7.67 3.64 0.00 2.08 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 2.05 2.07 0.00 80 A 7.71 4.17 1.25 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 0.00 0.00 81 K 8.64 4.29 0.00 1.88 1.83 0.00 1.97 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.50 7.81 82 V 8.83 3.69 2.43 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 0.87 0.00 0.00 1.14 0.00 0.00 83 E 9.42 4.38 0.00 2.06 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 2.23 0.00 84 K 8.53 5.10 0.00 1.66 1.54 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.28 1.33 7.81 85 L 8.66 5.02 0.00 1.12 1.20 0.11 0.85 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 86 C 8.74 4.91 0.00 2.84 2.56 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 0.00 0.00 0.00 0.00 87 V 8.54 4.82 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 0.74 0.00 0.00 1.13 0.00 0.00 88 W 9.46 5.10 0.00 3.37 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 89 N 9.12 4.48 0.00 2.55 2.80 0.00 0.00 6.99 8.90 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 90 N 8.29 4.84 0.00 2.88 3.01 0.00 0.00 5.96 7.13 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 91 K 7.77 4.76 0.00 1.87 1.75 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.38 7.81 92 T 8.19 4.88 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 1.19 0.00 0.00 93 P 0.00 4.46 0.00 2.02 2.03 0.00 3.71 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 94 H 9.07 4.74 0.00 3.36 3.46 0.00 5.90 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 A 8.93 5.20 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 9.09 4.20 1.96 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.81 0.90 0.00 0.00 97 A 8.77 4.39 -0.09 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 98 A 7.24 4.55 1.08 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 0.00 0.00 99 I 8.18 5.04 1.86 0.00 0.00 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 1.40 0.98 0.91 0.00 0.00 100 S 9.16 4.86 0.00 3.84 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 0.00 101 M 8.48 5.23 0.00 1.89 1.99 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 102 A 8.11 4.56 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.69 4.43 0.00 2.70 2.70 0.00 0.00 6.89 7.56 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 * Residues marked with a * may have inaccurate shift predictions.