NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2418 8.2649 123.5834 51.4919 20.8807 176.9550 3 C 4.5261 7.6238 112.9231 56.5127 30.7430 172.0917 4 P 4.3235 0.0000 0.0000 64.9493 31.4219 178.3204 5 L 3.9224 7.8139 119.0584 58.2964 42.1855 178.6135 6 E 4.0024 8.1677 118.0535 59.3647 29.3550 179.1960 7 K 4.0071 8.2916 119.4923 59.1592 32.2469 178.7798 8 A 4.0154 8.2431 121.3716 55.2175 18.2778 179.6458 9 L 4.0037 8.0227 117.5221 57.7193 41.6061 178.9190 10 D 4.3928 8.1139 118.1758 57.6512 41.0395 178.7152 11 V 3.6778 8.0068 118.4006 66.2675 31.5592 177.7780 12 M 4.2566 8.2188 118.3361 58.6753 31.6232 179.0145 13 V 4.1403 8.2530 118.4011 66.2988 31.7271 178.2413 14 S 4.2075 8.7674 115.3949 61.7361 62.3107 176.7436 15 T 4.0488 8.5537 118.9923 66.3910 68.1562 176.4100 16 F 3.7251 7.9916 122.0287 61.7388 39.0279 176.9880 17 H 4.3752 8.0886 116.4208 57.6104 28.2728 177.3939 18 K 3.6893 7.8531 121.1983 59.2310 31.9551 177.2696 19 Y 4.3767 7.2301 115.6475 59.0770 38.9549 178.0106 20 S 4.0689 7.7637 114.2671 60.3398 63.4095 176.0725 21 G 3.7035 7.3268 107.6661 46.9199 0.0000 175.0666 22 K 4.0957 7.6107 119.9163 58.8801 32.2284 177.1957 23 E 4.7258 8.5495 115.9186 55.1602 34.4618 178.0176 24 G 3.6691 8.4113 110.3208 46.2495 0.0000 175.4465 25 D 4.3079 8.7382 127.8570 54.4773 41.2062 177.6613 26 K 3.8909 8.5455 128.5698 56.8642 31.8174 174.0482 27 F 5.2100 8.1143 114.4200 57.2121 39.1764 175.4374 28 K 5.0223 7.8242 119.0765 54.5051 35.7151 175.8760 29 L 4.4132 8.9975 123.1437 53.8974 42.2290 177.3661 30 N 4.8316 9.4173 125.9233 52.4915 40.2949 176.3448 31 K 4.0760 8.5095 123.9766 60.4348 31.8438 175.0808 32 S 4.4680 8.1729 115.5158 61.0994 63.0456 176.2217 33 E 3.9508 8.9945 122.6544 59.0402 29.1570 178.9902 34 L 3.9722 8.3036 123.0037 58.6440 42.1950 179.5358 35 K 3.8942 8.6159 124.0056 60.0097 31.4733 180.4360 36 E 4.0974 8.3869 121.7210 58.3496 29.3857 179.2661 37 L 2.7637 7.4473 119.9750 57.7405 42.1468 178.8327 38 L 4.0204 8.0516 119.3256 58.1975 41.4689 179.7457 39 T 3.8858 8.3115 109.9154 64.8610 68.3801 176.4355 40 R 4.1756 8.0978 119.9697 57.6916 30.4604 177.6856 41 E 4.6442 8.5838 116.6671 55.8244 32.2837 176.3134 42 L 4.9370 7.8346 119.1383 53.0000 42.4613 176.3797 43 P 4.3124 0.0000 0.0000 66.2613 31.2633 177.9250 44 S 4.3686 8.0890 113.6312 61.0205 62.7697 176.0129 45 F 4.3052 8.1822 123.0156 61.1370 39.3493 177.2512 46 L 4.1638 8.3040 116.8008 57.7122 41.8522 176.9868 47 G 3.8612 8.2636 101.7885 47.2932 0.0000 173.2576 *51 D 4.4762 7.4416 118.8416 53.5191 39.9469 175.8056 52 E 4.2376 7.9958 124.6176 59.3317 30.0932 178.3176 53 A 3.9746 8.0222 120.7527 55.2731 18.5192 179.4036 54 A 4.0203 8.0886 118.3934 54.8086 18.3666 179.1875 55 F 4.3630 7.7229 120.5512 60.9496 39.6060 177.5355 56 Q 3.5220 8.1146 119.3014 58.7052 28.7853 177.9771 57 K 3.7588 8.1126 120.8184 59.3192 32.0958 178.5193 58 L 3.8678 7.5418 120.4989 58.3773 42.1441 178.2533 59 M 3.7176 8.1687 118.4913 58.8040 31.7711 178.0847 60 S 3.9998 8.3676 112.4947 61.6078 62.6708 175.5425 61 N 4.4357 7.9953 117.7249 56.1991 38.2669 177.0221 62 L 4.3141 7.7587 119.8006 56.6734 43.1500 178.3707 63 D 4.7720 8.3017 120.2196 54.6786 38.1602 176.1803 64 S 4.1049 8.9903 119.2585 60.1041 63.1970 174.5315 65 N 4.7214 8.4588 115.8359 51.8505 37.4264 174.9487 66 R 4.1677 7.4887 116.2877 58.1696 28.0544 176.3214 67 D 4.7189 7.9332 110.4555 52.5393 39.7192 175.8791 68 N 4.2102 8.8455 115.3951 54.5913 38.1461 173.2682 69 E 4.9042 8.2778 113.9780 54.4891 33.8222 175.4464 70 V 4.3864 9.0078 124.0396 62.1013 32.9185 175.3578 71 D 5.2501 9.8654 129.4731 52.0532 42.0263 177.2293 72 F 2.9145 8.7997 119.1810 61.3282 38.9749 176.6438 73 Q 3.9323 8.0374 118.4998 59.0760 28.9040 177.7716 74 E 4.0619 8.5265 119.7829 59.0537 29.4318 178.5133 75 Y 4.2321 8.1118 119.9695 60.9255 38.8689 177.7506 76 C 3.7147 7.7125 117.6908 62.3507 28.0964 176.1305 77 V 3.4851 7.4465 119.9209 65.9001 31.1096 177.6119 78 F 4.2698 8.1214 120.1980 61.6019 39.2377 177.0345 79 L 3.4349 7.7265 118.5567 57.7460 41.2304 179.6895 80 S 4.0900 8.4162 115.3434 61.5452 62.8092 176.3716 81 C 4.0382 8.0110 121.2795 62.5817 31.4163 175.3690 82 I 3.6112 7.2913 121.1446 64.5200 36.6101 178.0021 83 A 3.9809 8.3048 121.5024 55.6750 18.1941 179.6252 84 M 4.0632 8.2993 117.2352 58.7823 31.7386 179.0144 85 M 4.1953 7.8501 117.8935 58.4788 32.5800 178.1187 86 C 4.3448 8.2679 116.9586 62.9811 28.4380 175.6130 87 N 4.5370 8.5959 118.9053 56.9006 38.4979 176.3862 88 E 3.9283 8.2648 119.9196 59.6002 29.4389 179.0348 89 F 2.5531 7.8311 119.8883 61.0513 39.1023 177.2154 90 F 3.9206 7.8971 115.4411 59.6424 38.8513 176.7512 91 E 4.2555 7.8224 115.9835 56.5770 29.6982 177.2173 92 G 3.6084 6.8045 107.5923 44.5591 0.0000 172.7506 93 F 3.9040 7.1737 120.0372 57.0802 35.8517 173.5161 94 P 4.5303 0.0000 0.0000 62.5654 31.3918 176.4141 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 A 8.26 4.24 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 3 C 7.62 4.53 0.00 3.01 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 4 P 0.00 4.32 0.00 2.16 2.10 0.00 3.60 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 5 L 7.81 3.92 0.00 1.75 1.65 0.91 0.99 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 6 E 8.17 4.00 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 2.41 2.38 0.00 7 K 8.29 4.01 0.00 1.97 1.82 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.61 7.81 8 A 8.24 4.02 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 9 L 8.02 4.00 0.00 1.89 1.78 0.94 0.95 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 10 D 8.11 4.39 0.00 2.95 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 11 V 8.01 3.68 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 1.15 0.00 0.00 1.02 0.00 0.00 12 M 8.22 4.26 0.00 2.22 2.35 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 2.89 2.57 0.00 13 V 8.25 4.14 2.21 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 1.02 0.00 0.00 1.15 0.00 0.00 14 S 8.77 4.21 0.00 3.99 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 15 T 8.55 4.05 4.53 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 1.49 0.00 0.00 16 F 7.99 3.73 0.00 2.10 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 17 H 8.09 4.38 0.00 3.44 3.40 0.00 5.90 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 18 K 7.85 3.69 0.00 1.75 1.85 0.00 1.66 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.32 1.11 7.81 19 Y 7.23 4.38 0.00 2.72 2.88 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 20 S 7.76 4.07 0.00 3.84 3.10 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 21 G 7.33 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 0.00 0.00 0.00 22 K 7.61 4.10 0.00 1.94 1.86 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.41 7.81 23 E 8.55 4.73 0.00 1.99 1.76 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 2.22 2.22 0.00 24 G 8.41 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.74 4.31 0.00 2.72 2.60 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 26 K 8.55 3.89 0.00 1.81 1.72 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 1.03 7.81 27 F 8.11 5.21 0.00 3.17 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 28 K 7.82 5.02 0.00 1.89 1.79 0.00 1.88 0.00 0.00 1.79 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.56 7.81 29 L 9.00 4.41 0.00 1.64 1.54 0.90 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.42 4.83 0.00 2.96 2.99 0.00 0.00 6.66 7.50 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 31 K 8.51 4.08 0.00 1.78 1.86 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.07 7.81 32 S 8.17 4.47 0.00 4.05 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 33 E 8.99 3.95 0.00 2.13 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 2.34 2.50 0.00 34 L 8.30 3.97 0.00 1.79 1.94 0.87 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.62 3.89 0.00 1.75 1.82 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.38 1.37 7.81 36 E 8.39 4.10 0.00 2.18 1.78 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 2.35 2.17 0.00 37 L 7.45 2.76 0.00 1.42 1.65 1.00 0.67 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 38 L 8.05 4.02 0.00 1.89 1.83 0.98 0.77 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 39 T 8.31 3.89 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 1.16 0.00 0.00 40 R 8.10 4.18 0.00 1.80 2.09 0.00 3.32 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 41 E 8.58 4.64 0.00 1.98 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 2.27 2.60 0.00 42 L 7.83 4.94 0.00 1.78 1.69 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.31 0.00 2.29 2.34 0.00 3.84 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 44 S 8.09 4.37 0.00 3.92 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 45 F 8.18 4.31 0.00 3.05 3.30 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 46 L 8.30 4.16 0.00 1.76 1.76 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 47 G 8.26 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 *51 D 7.44 4.48 0.00 2.88 2.90 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 52 E 8.00 4.24 0.00 2.07 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 0.00 2.41 2.35 0.00 53 A 8.02 3.97 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 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.09 4.02 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 55 F 7.72 4.36 0.00 3.19 3.06 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 56 Q 8.11 3.52 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.56 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 57 K 8.11 3.76 0.00 2.00 2.00 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.60 7.81 58 L 7.54 3.87 0.00 1.81 1.81 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 59 M 8.17 3.72 0.00 1.71 1.58 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 2.46 2.42 0.00 60 S 8.37 4.00 0.00 4.02 4.07 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 61 N 8.00 4.44 0.00 2.95 2.89 0.00 0.00 7.14 7.47 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 62 L 7.76 4.31 0.00 1.58 1.63 0.14 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 63 D 8.30 4.77 0.00 2.70 2.60 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 64 S 8.99 4.10 0.00 3.89 3.88 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 65 N 8.46 4.72 0.00 2.92 3.02 0.00 0.00 6.33 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 66 R 7.49 4.17 0.00 1.92 2.03 0.00 3.29 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 67 D 7.93 4.72 0.00 2.83 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 N 8.85 4.21 0.00 2.83 2.90 0.00 0.00 6.83 7.49 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 69 E 8.28 4.90 0.00 1.89 1.82 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 2.24 2.24 0.00 70 V 9.01 4.39 2.15 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 1.00 0.00 0.00 0.90 0.00 0.00 71 D 9.87 5.25 0.00 2.95 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 72 F 8.80 2.91 0.00 2.68 2.97 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 0.00 0.00 0.00 73 Q 8.04 3.93 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 74 E 8.53 4.06 0.00 2.27 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 0.00 2.41 2.40 0.00 75 Y 8.11 4.23 0.00 3.08 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 76 C 7.71 3.71 0.00 2.82 2.78 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 77 V 7.45 3.49 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 1.01 0.00 0.00 0.98 0.00 0.00 78 F 8.12 4.27 0.00 3.04 3.17 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 0.00 0.00 0.00 0.00 79 L 7.73 3.43 0.00 1.46 1.37 0.40 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.42 4.09 0.00 3.89 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 81 C 8.01 4.04 0.00 3.09 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 82 I 7.29 3.61 1.66 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 -0.03 0.82 0.00 0.00 83 A 8.30 3.98 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 84 M 8.30 4.06 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.64 0.00 85 M 7.85 4.20 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.96 0.00 86 C 8.27 4.34 0.00 3.25 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 87 N 8.60 4.54 0.00 2.90 3.06 0.00 0.00 7.24 7.21 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 88 E 8.26 3.93 0.00 2.40 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 0.00 2.61 2.63 0.00 89 F 7.83 2.55 0.00 2.92 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 90 F 7.90 3.92 0.00 3.20 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 91 E 7.82 4.26 0.00 2.00 1.95 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 2.29 2.55 0.00 92 G 6.80 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 93 F 7.17 3.90 0.00 3.27 3.02 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 94 P 0.00 4.53 0.00 2.19 2.03 0.00 4.11 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 * Residues marked with a * may have inaccurate shift predictions.