NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.3302 8.2993 121.8107 56.5307 32.7792 175.7676 4 V 4.3820 8.2551 117.5033 58.2264 33.1948 173.8160 5 C 4.0361 9.6626 126.5511 59.6866 32.4456 175.4958 6 E 4.1211 9.2205 127.8157 58.6077 28.7097 177.2019 7 I 4.2098 7.0257 118.3362 62.8911 38.7612 176.9630 8 S 4.0637 7.6356 118.1780 59.6595 63.4693 175.7029 9 G 3.9169 8.0866 108.3559 44.9340 0.0000 173.6744 10 K 4.0046 7.6907 119.5178 56.5587 32.5662 176.2516 11 R 4.9569 8.0776 117.9906 53.0679 32.6626 173.0596 12 P 4.5337 0.0000 0.0000 63.3550 32.0369 175.0890 13 I 4.5291 8.2708 114.5090 59.2419 41.3554 174.0782 14 V 4.7870 8.1532 115.0074 59.9745 32.9424 175.8083 15 A 4.7496 9.1112 126.1599 50.3633 22.8073 175.0699 16 N 5.0445 8.7572 117.5077 52.7158 40.5414 174.6290 17 S 4.6880 9.1691 116.5818 56.7964 64.6499 172.6532 18 I 4.9570 8.4269 127.9243 59.6568 39.4540 174.9520 19 Q 4.7193 9.1042 126.0080 54.2914 31.0130 175.0491 20 R 5.7270 8.4358 121.1045 53.8322 34.4996 174.4084 21 R 4.6055 8.4994 117.3456 55.5400 34.9066 174.9404 22 G 4.0741 8.9345 107.2449 44.8495 0.0000 174.1095 23 K 4.1655 8.7249 120.6517 54.9370 31.4002 174.7667 24 A 3.7956 7.6356 127.2878 49.8286 19.3362 177.9827 25 K 3.7932 8.8522 124.7744 59.4146 32.4560 177.5471 26 R 4.1356 8.1052 118.0242 58.6054 31.3921 176.6005 27 E 4.4155 8.0879 110.1972 55.6211 28.4595 177.3937 28 G 3.5911 8.4642 101.6793 46.9847 0.0000 177.1536 29 G 3.8046 7.9214 110.1771 46.4615 0.0000 170.7271 30 V 3.3826 8.9446 113.6648 62.8062 30.5895 174.2327 31 G 3.8721 6.8863 104.3301 43.9526 0.0000 171.8386 32 K 4.7858 8.1784 118.9953 54.3911 35.0800 175.5284 33 K 4.6676 9.1778 122.4310 54.8705 35.0766 175.4401 34 T 4.6655 8.4530 121.2653 63.4352 68.4829 174.5815 35 T 4.2074 9.0288 122.6907 63.9184 68.3349 174.5354 36 G 4.2323 7.8309 105.7827 45.8763 0.0000 172.5711 37 I 5.7863 8.3534 120.6189 60.5130 41.2976 174.4978 38 S 4.7534 8.5165 120.2219 56.5534 66.6685 173.4088 39 K 4.7752 8.6350 120.8980 56.6678 33.1126 176.0856 40 R 4.7074 9.2989 118.9420 55.5591 33.4401 173.5996 41 R 5.0072 8.5118 117.4710 54.4817 33.4134 175.8795 42 Q 4.5730 8.4160 119.7584 54.5418 31.4735 174.8690 43 Y 4.6197 8.7141 121.7298 56.3142 39.6383 173.9098 44 P 4.5931 0.0000 0.0000 62.1911 33.2755 176.5218 45 N 4.7920 8.3555 120.1632 52.8833 36.7454 174.3871 46 L 4.8022 7.6342 120.2141 55.4394 43.3189 177.7834 47 Q 4.6723 8.7862 119.3199 54.9501 33.9868 173.4269 48 K 4.9995 8.5411 120.0465 55.3853 34.1258 176.9570 49 V 4.3391 8.6563 123.3520 61.2561 33.9032 174.2543 50 R 5.0053 8.6196 127.1245 55.6431 31.0858 176.4965 51 V 4.2568 8.6617 121.7741 60.5800 34.1472 174.2471 52 R 3.7040 9.0302 121.3168 56.6347 30.4233 176.7751 53 V 2.9096 8.5819 123.4528 64.0466 30.1114 173.7242 54 A 3.6366 8.4383 131.7823 52.3781 17.2712 176.8880 55 G 3.6514 8.8280 101.2119 49.2174 0.0000 174.2808 56 Q 4.3139 7.7047 117.4891 54.7598 30.9586 176.1697 57 E 3.7110 8.8851 123.3250 56.6157 28.1481 178.1099 58 I 3.3198 10.2297 114.0360 61.4951 39.3733 170.7131 59 T 5.9122 7.4324 114.9330 59.9988 72.2079 172.8607 60 F 5.0607 8.6738 119.9488 55.9733 43.6556 174.4725 61 R 4.9048 9.4804 123.1771 55.3016 30.5667 175.7128 62 V 4.8542 8.5611 123.5332 59.1462 34.9983 175.1932 63 A 4.3119 8.6089 125.1607 51.9503 19.0145 178.3223 64 A 4.1207 8.8133 126.4118 55.7412 18.1336 179.8765 65 S 4.2028 8.2143 111.0533 61.0631 63.2453 175.3178 66 H 4.7548 9.2422 118.4212 55.1635 28.9884 175.8506 67 I 3.7102 7.5292 124.7063 64.1488 37.0050 175.9272 68 P 4.3171 0.0000 0.0000 66.0037 30.6337 177.8927 69 K 3.9358 7.9632 118.3990 57.7428 31.7912 178.0612 70 V 3.3666 7.3815 117.0758 66.1090 32.2729 176.9957 71 Y 3.9426 7.7806 115.9288 60.9509 37.8504 177.7328 72 E 3.9628 8.3201 120.3279 59.2554 29.4914 178.6228 73 L 3.9524 7.4861 120.0482 58.0485 42.0954 179.1077 74 V 3.6621 7.5932 118.3069 65.6472 31.3473 177.6854 75 E 3.9151 8.0389 119.1410 59.3686 29.4339 178.7593 76 R 4.0819 7.4209 113.3881 57.7754 30.1263 177.2355 77 A 4.3134 7.5981 120.2057 52.9998 19.2493 178.7993 78 K 4.1687 8.2944 116.7107 59.1273 32.3850 180.1867 79 G 3.9976 8.0091 104.0424 45.5308 0.0000 172.5457 80 L 4.7682 8.1216 120.7317 52.7480 44.9829 176.8576 81 K 4.4486 8.3908 126.4352 54.7564 31.1564 175.8642 82 L 4.8681 8.2243 126.5685 53.9658 40.4089 177.0366 83 E 4.5488 8.1120 117.5753 55.8131 32.2908 175.6924 84 G 3.3800 9.7647 110.0545 45.4994 0.0000 173.4255 85 L 3.4992 6.7715 123.4546 54.5190 39.5267 177.0302 86 S 5.4559 8.3056 124.8725 56.5283 64.5306 177.0782 87 P 4.1561 0.0000 0.0000 67.4815 31.1241 177.5237 88 K 3.9996 8.0621 117.2923 58.3059 31.9164 178.7618 89 E 4.1100 8.7671 119.6804 58.6892 29.6198 178.3404 90 I 3.6905 7.7545 118.3908 64.4537 37.4014 177.8837 91 K 4.0413 8.0116 120.0677 59.3711 31.9238 178.8020 92 K 3.9335 7.6200 118.0853 59.2791 31.9844 178.0709 93 E 4.3539 8.3949 118.5646 57.7683 29.6509 176.7264 94 L 3.8314 7.4364 118.8416 55.8115 41.3431 177.4397 95 L 3.2755 8.3994 126.1518 57.1475 43.1055 174.8717 *96 K 4.1330 7.6961 122.7954 54.7643 32.3453 177.7273 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 3 K 8.30 4.33 0.00 1.78 1.58 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.48 7.81 4 V 8.26 4.38 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 0.77 0.00 0.00 1.00 0.00 0.00 5 C 9.66 4.04 0.00 2.97 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 6 E 9.22 4.12 0.00 2.17 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 0.00 2.38 2.55 0.00 7 I 7.03 4.21 1.86 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 1.41 0.39 0.93 0.00 0.00 8 S 7.64 4.06 0.00 3.78 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 9 G 8.09 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 0.00 0.00 0.00 10 K 7.69 4.00 0.00 1.83 1.75 0.00 1.61 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.34 7.81 11 R 8.08 4.96 0.00 1.83 1.84 0.00 3.04 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 12 P 0.00 4.53 0.00 1.53 1.51 0.00 3.67 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 13 I 8.27 4.53 1.82 0.00 0.00 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 1.16 0.84 0.93 0.00 0.00 14 V 8.15 4.79 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 0.66 0.00 0.00 0.90 0.00 0.00 15 A 9.11 4.75 1.15 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 0.00 0.00 16 N 8.76 5.04 0.00 2.62 2.75 0.00 0.00 6.72 7.57 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 17 S 9.17 4.69 0.00 3.82 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 18 I 8.43 4.96 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 1.34 0.76 0.91 0.00 0.00 19 Q 9.10 4.72 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.62 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 20 R 8.44 5.73 0.00 1.64 1.87 0.00 3.24 0.00 0.00 3.88 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.46 0.00 21 R 8.50 4.61 0.00 1.71 1.75 0.00 3.09 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 1.61 1.63 0.00 22 G 8.93 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 0.00 0.00 0.00 23 K 8.72 4.17 0.00 1.79 1.73 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.52 1.47 7.81 24 A 7.64 3.80 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 25 K 8.85 3.79 0.00 1.72 1.87 0.00 1.82 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.45 7.81 26 R 8.11 4.14 0.00 1.80 1.98 0.00 3.24 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 27 E 8.09 4.42 0.00 2.07 1.20 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 2.26 2.27 0.00 28 G 8.46 3.59 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 0.00 0.00 0.00 29 G 7.92 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 0.00 0.00 0.00 30 V 8.94 3.38 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 0.93 0.00 0.00 31 G 6.89 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 32 K 8.18 4.79 0.00 1.71 1.69 0.00 1.91 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.35 7.81 33 K 9.18 4.67 0.00 1.61 1.68 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.35 1.52 7.81 34 T 8.45 4.67 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 1.30 0.00 0.00 35 T 9.03 4.21 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 1.24 0.00 0.00 36 G 7.83 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 0.00 0.00 0.00 37 I 8.35 5.79 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 1.03 0.84 0.91 0.00 0.00 38 S 8.52 4.75 0.00 3.83 3.89 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 39 K 8.64 4.78 0.00 1.66 1.77 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.76 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.60 7.81 40 R 9.30 4.71 0.00 1.85 2.01 0.00 2.78 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 41 R 8.51 5.01 0.00 1.55 1.38 0.00 3.17 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.61 0.00 42 Q 8.42 4.57 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 43 Y 8.71 4.62 0.00 2.89 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 44 P 0.00 4.59 0.00 2.09 1.99 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.07 0.00 45 N 8.36 4.79 0.00 2.84 2.75 0.00 0.00 6.97 6.66 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 46 L 7.63 4.80 0.00 1.59 1.62 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 47 Q 8.79 4.67 0.00 2.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.83 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 48 K 8.54 5.00 0.00 1.65 1.76 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.50 7.81 49 V 8.66 4.34 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 0.85 0.00 0.00 1.00 0.00 0.00 50 R 8.62 5.01 0.00 1.77 2.04 0.00 3.39 0.00 0.00 3.29 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 51 V 8.66 4.26 1.80 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 0.64 0.00 0.00 0.85 0.00 0.00 52 R 9.03 3.70 0.00 1.85 1.97 0.00 3.53 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 53 V 8.58 2.91 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 0.77 0.00 0.00 0.96 0.00 0.00 54 A 8.44 3.64 1.33 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 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.83 3.65 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 0.00 0.00 0.00 56 Q 7.70 4.31 0.00 2.04 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 57 E 8.89 3.71 0.00 1.91 1.66 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 2.29 2.23 0.00 58 I 10.23 3.32 1.83 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 0.99 0.97 1.06 0.00 0.00 59 T 7.43 5.91 4.26 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 1.19 0.00 0.00 60 F 8.67 5.06 0.00 2.80 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 61 R 9.48 4.90 0.00 1.76 1.94 0.00 3.25 0.00 0.00 3.23 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 62 V 8.56 4.85 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 0.74 0.00 0.00 0.95 0.00 0.00 63 A 8.61 4.31 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 64 A 8.81 4.12 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 0.00 0.00 0.00 0.00 0.00 65 S 8.21 4.20 0.00 4.07 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 66 H 9.24 4.75 0.00 3.32 3.33 0.00 5.85 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.53 3.71 1.92 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 1.63 0.81 1.05 0.00 0.00 68 P 0.00 4.32 0.00 2.26 2.32 0.00 3.63 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 69 K 7.96 3.94 0.00 1.90 1.99 0.00 1.49 0.00 0.00 1.57 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.48 7.81 70 V 7.38 3.37 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 0.07 0.00 0.00 0.78 0.00 0.00 71 Y 7.78 3.94 0.00 3.08 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 72 E 8.32 3.96 0.00 2.03 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 2.31 2.47 0.00 73 L 7.49 3.95 0.00 1.97 1.69 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.59 3.66 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 0.95 0.00 0.00 0.86 0.00 0.00 75 E 8.04 3.92 0.00 2.16 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 2.32 2.41 0.00 76 R 7.42 4.08 0.00 2.00 1.97 0.00 3.21 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.85 0.00 77 A 7.60 4.31 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 78 K 8.29 4.17 0.00 1.95 1.86 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 79 G 8.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 4.77 0.00 1.52 1.50 0.97 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 81 K 8.39 4.45 0.00 1.75 1.72 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.94 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.51 7.81 82 L 8.22 4.87 0.00 1.69 1.63 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.11 4.55 0.00 1.93 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 2.21 2.33 0.00 84 G 9.76 3.38 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 85 L 6.77 3.50 0.00 1.69 1.78 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.31 5.46 0.00 4.05 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 87 P 0.00 4.16 0.00 2.23 2.36 0.00 3.68 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.08 0.00 88 K 8.06 4.00 0.00 1.79 1.87 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.48 7.81 89 E 8.77 4.11 0.00 2.06 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 2.27 2.39 0.00 90 I 7.75 3.69 1.99 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 1.63 0.72 0.92 0.00 0.00 91 K 8.01 4.04 0.00 1.70 1.66 0.00 1.26 0.00 0.00 1.34 0.00 0.00 2.61 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 0.82 7.81 92 K 7.62 3.93 0.00 2.01 1.88 0.00 1.72 0.00 0.00 1.69 0.00 0.00 3.11 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.53 7.81 93 E 8.39 4.35 0.00 2.13 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 2.49 0.00 94 L 7.44 3.83 0.00 1.80 1.75 1.17 1.44 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 95 L 8.40 3.28 0.00 1.72 1.66 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 *96 K 7.70 4.13 0.00 1.56 1.61 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.