NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.6783 8.4201 118.2169 52.3685 39.0417 176.1391 0 A 4.0050 7.9752 123.2206 52.1186 17.3514 175.3180 2 S 3.4935 9.0449 118.9727 59.6622 63.8083 170.9040 3 D 4.5496 8.2341 121.3864 54.8350 41.9230 175.1867 4 T 4.7347 8.3092 118.6626 61.7676 70.7599 173.6174 5 L 4.6039 8.7802 128.6096 53.5125 44.2999 174.5474 6 Y 4.9677 9.0775 125.2117 57.1328 39.8253 174.6656 7 I 4.9044 8.9472 124.8606 59.4329 40.4157 174.6988 8 K 4.8839 8.9539 127.8292 54.5696 35.6929 174.3501 *10 D 4.6522 8.4199 121.9685 54.2406 41.7001 175.8099 11 Q 4.2222 8.6790 121.9196 59.1944 30.2127 175.4563 12 A 5.0897 7.6824 116.7758 51.1905 22.2975 175.9070 13 V 4.4238 8.5141 118.9625 61.4981 35.6121 172.6956 14 E 5.0723 8.7387 127.5046 54.4366 31.9884 174.8760 15 I 4.6300 8.8647 127.2555 59.9739 40.3609 176.6015 16 T 3.9476 8.8259 117.1691 64.2200 69.3468 175.2198 17 K 4.2360 7.9409 119.7461 56.4564 32.7061 176.1963 18 K 4.2468 8.4975 116.3694 56.3823 33.6039 176.0237 19 Q 5.1058 8.0460 120.5201 54.1429 32.5110 174.4131 20 V 4.5900 8.7628 124.0506 61.4225 34.9066 175.2362 21 T 4.5333 8.6329 117.7957 60.4039 70.9894 176.1934 22 V 3.5425 8.5747 120.9887 66.1594 31.4665 178.0922 23 G 3.7705 7.8924 106.1601 47.0794 0.0000 174.0182 24 D 4.5419 7.7094 119.3134 55.6398 41.0824 177.2779 25 V 4.3031 7.7713 116.4916 61.1926 32.7243 175.3774 26 A 4.8203 7.3847 121.1813 50.7097 22.5192 175.6639 27 K 4.3224 8.8632 121.1601 56.2493 33.5148 176.2653 28 L 5.3570 8.4161 122.2447 53.1686 45.6273 175.7234 29 Q 4.6062 9.1957 122.2468 54.8598 32.8110 173.3669 30 C 4.9090 8.6640 125.6295 58.0904 33.9633 173.3134 31 K 3.7581 9.1931 127.9118 59.0550 32.0736 175.4675 32 N 4.6610 7.8681 117.5465 51.9099 38.3389 175.2424 33 K 4.1345 8.4163 126.4562 58.7927 32.2844 178.7965 34 N 4.3154 8.3266 117.5372 56.3767 38.4105 177.2854 35 I 3.3884 7.6222 121.3772 64.1248 37.1171 178.3938 36 T 4.0596 7.6860 110.0664 64.3651 68.8154 176.4003 37 N 4.2822 8.2041 118.9329 56.2680 38.7554 176.9333 38 R 4.1385 7.9888 119.3414 59.1070 30.1019 178.2296 39 L 4.0541 8.1105 118.8791 58.5199 42.5265 178.4965 40 K 4.1222 8.1677 119.6422 59.3073 33.1473 176.6835 41 S 4.6039 7.4562 116.1082 57.2245 61.5160 174.2442 *43 K 4.1042 7.4824 118.4602 56.2732 33.5924 175.9056 44 L 4.6618 9.1031 124.6654 56.0046 44.6473 176.3839 45 L 4.5523 7.6475 118.5805 53.7575 45.4241 173.8632 46 E 4.8892 8.6277 125.8344 54.4649 32.7811 175.3021 47 D 4.2324 8.5209 125.1172 53.0053 39.7580 175.6472 48 T 4.5434 8.2019 112.7247 60.8190 70.6547 174.9422 49 T 4.1748 7.9946 120.0083 62.6563 69.1032 174.5172 50 K 3.9981 8.6729 127.4082 57.6625 32.7864 176.0923 51 G 4.1139 8.7434 111.8708 45.9971 0.0000 172.8384 52 K 4.5210 7.9340 117.9291 54.3220 35.2004 175.4519 53 K 4.8990 8.5814 122.2180 55.5587 35.2282 175.2006 54 R 5.0104 7.9822 120.5891 54.8108 31.5046 174.6154 55 Y 4.9125 9.6404 123.5266 56.1159 42.4072 174.3007 56 I 4.9896 8.4102 120.1040 59.3803 40.9695 174.3169 57 V 4.3941 9.0476 129.8869 60.9768 33.3982 174.6022 58 S 5.1151 8.5965 123.1381 56.4725 63.8474 174.0662 59 I 3.8828 7.8687 129.5791 60.8422 36.5487 176.8281 *61 K 4.2661 7.8983 122.9021 56.6344 34.3476 177.3972 62 I 3.8432 7.3333 119.0272 64.4922 37.4631 177.5585 63 I 3.8504 8.0483 121.1298 64.5560 37.2793 178.8224 64 E 4.0860 7.6377 114.5551 56.8559 29.0187 178.0281 *66 A 4.3301 8.0888 122.1603 51.8544 20.4069 179.6428 67 D 4.4856 8.6961 114.8397 57.3347 40.9405 177.8185 68 Q 4.1919 7.8070 116.4623 57.2116 28.9909 176.4922 69 T 4.2576 7.4040 105.3650 60.7614 70.4929 173.8780 70 F 5.1610 7.6013 120.1586 55.8775 42.1270 175.3658 71 Q 4.2159 8.9414 122.5845 58.6668 29.5536 176.5618 72 N 5.1287 7.8701 110.6687 52.2322 38.0203 175.1212 73 V 4.4146 7.5192 117.2017 60.9348 34.2475 175.6964 74 D 4.5800 8.6356 128.4626 54.3393 42.0754 175.5343 75 I 4.7337 8.2243 122.7613 59.4768 39.8371 174.5301 76 Q 4.4948 8.8208 128.8720 54.1912 30.9866 173.7626 77 N 4.9857 8.8071 125.9030 53.6201 39.4135 173.7935 78 I 4.3461 9.4733 126.7075 61.8101 39.4895 176.3893 79 G 4.1431 8.0090 114.1881 45.4727 0.0000 174.3851 80 E 4.3577 8.6783 127.1234 56.1589 30.5359 175.9297 81 T 4.6472 8.2243 107.1818 61.7601 70.9736 173.6351 82 E 5.0640 7.9422 122.3049 55.5023 34.3517 173.1833 83 C 5.1799 9.3118 125.7518 57.4982 34.4467 172.6703 84 V 4.4006 8.6133 126.9419 62.2633 32.3910 174.6581 85 V 4.3982 8.7708 129.7530 61.5107 33.2488 173.9916 86 E 4.9436 8.7495 129.6232 54.4968 31.5739 174.7326 87 F 5.1460 9.1046 127.8564 56.6250 39.2954 176.0675 88 K 4.3515 9.2338 124.4003 56.2687 34.1715 177.2946 89 T 4.5177 8.2788 115.5417 59.5588 66.8801 172.0199 90 P 4.4919 0.0000 0.0000 62.3244 31.6522 176.5673 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 N 8.42 4.68 0.00 2.83 2.98 0.00 0.00 6.02 6.38 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 A 7.98 4.01 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 2 S 9.04 3.49 0.00 4.23 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 3 D 8.23 4.55 0.00 2.50 2.49 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 4 T 8.31 4.73 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 0.56 0.00 0.00 5 L 8.78 4.60 0.00 1.55 1.52 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 6 Y 9.08 4.97 0.00 3.03 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 7 I 8.95 4.90 1.90 0.00 0.00 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 1.14 1.06 0.94 0.00 0.00 8 K 8.95 4.88 0.00 1.81 1.64 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.39 7.81 *10 D 8.42 4.65 0.00 2.67 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.68 4.22 0.00 2.14 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 12 A 7.68 5.09 1.17 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 0.00 0.00 13 V 8.51 4.42 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 0.74 0.00 0.00 1.01 0.00 0.00 14 E 8.74 5.07 0.00 1.95 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 2.17 2.27 0.00 15 I 8.86 4.63 1.38 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 1.05 0.75 1.08 0.00 0.00 16 T 8.83 3.95 4.28 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 1.24 0.00 0.00 17 K 7.94 4.24 0.00 1.98 1.88 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.51 7.81 18 K 8.50 4.25 0.00 1.61 1.62 0.00 1.50 0.00 0.00 1.59 0.00 0.00 2.74 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.33 7.81 19 Q 8.05 5.11 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 20 V 8.76 4.59 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 0.89 0.00 0.00 0.94 0.00 0.00 21 T 8.63 4.53 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 1.32 0.00 0.00 22 V 8.57 3.54 2.27 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 1.08 0.00 0.00 0.95 0.00 0.00 23 G 7.89 3.77 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 0.00 0.00 0.00 24 D 7.71 4.54 0.00 2.82 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 25 V 7.77 4.30 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 0.74 0.00 0.00 0.90 0.00 0.00 26 A 7.38 4.82 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 27 K 8.86 4.32 0.00 1.73 1.74 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.57 7.81 28 L 8.42 5.36 0.00 1.50 1.55 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 29 Q 9.20 4.61 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 30 C 8.66 4.91 0.00 2.93 2.80 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 31 K 9.19 3.76 0.00 1.78 1.87 0.00 1.83 0.00 0.00 1.64 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 32 N 7.87 4.66 0.00 2.80 2.71 0.00 0.00 7.24 6.02 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 33 K 8.42 4.13 0.00 1.87 1.84 0.00 1.76 0.00 0.00 1.81 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.58 7.81 34 N 8.33 4.32 0.00 2.88 2.88 0.00 0.00 6.85 7.25 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 35 I 7.62 3.39 1.74 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.58 0.18 0.00 0.00 36 T 7.69 4.06 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 37 N 8.20 4.28 0.00 2.96 2.96 0.00 0.00 7.00 8.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.99 4.14 0.00 2.08 2.29 0.00 3.13 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 39 L 8.11 4.05 0.00 2.10 1.80 1.02 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.17 4.12 0.00 2.11 1.83 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.55 7.81 41 S 7.46 4.60 0.00 4.07 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 *43 K 7.48 4.10 0.00 1.76 1.78 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.43 7.81 44 L 9.10 4.66 0.00 1.55 1.80 0.93 1.15 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 45 L 7.65 4.55 0.00 1.75 1.42 0.93 0.56 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 46 E 8.63 4.89 0.00 1.91 1.67 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 2.10 2.24 0.00 47 D 8.52 4.23 0.00 1.58 1.81 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 48 T 8.20 4.54 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 1.14 0.00 0.00 49 T 7.99 4.17 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 1.22 0.00 0.00 50 K 8.67 4.00 0.00 1.69 1.71 0.00 1.81 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.50 7.81 51 G 8.74 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 0.00 0.00 0.00 52 K 7.93 4.52 0.00 1.68 1.67 0.00 1.49 0.00 0.00 1.44 0.00 0.00 2.18 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.48 1.13 7.81 53 K 8.58 4.90 0.00 1.80 1.86 0.00 1.86 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.49 1.90 7.81 54 R 7.98 5.01 0.00 1.75 1.76 0.00 3.46 0.00 0.00 3.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 55 Y 9.64 4.91 0.00 2.86 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 56 I 8.41 4.99 1.90 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 1.25 1.05 0.95 0.00 0.00 57 V 9.05 4.39 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 0.90 0.00 0.00 0.95 0.00 0.00 58 S 8.60 5.12 0.00 4.01 3.72 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 59 I 7.87 3.88 1.88 0.00 0.00 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 1.20 1.07 0.92 0.00 0.00 *61 K 7.90 4.27 0.00 1.99 1.84 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.41 1.49 7.81 62 I 7.33 3.84 2.02 0.00 0.00 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 1.31 0.66 0.94 0.00 0.00 63 I 8.05 3.85 1.88 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 1.19 0.92 0.92 0.00 0.00 64 E 7.64 4.09 0.00 1.99 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 2.30 2.26 0.00 *66 A 8.09 4.33 1.55 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 0.00 0.00 0.00 67 D 8.70 4.49 0.00 2.85 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 68 Q 7.81 4.19 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 69 T 7.40 4.26 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 0.95 0.00 0.00 70 F 7.60 5.16 0.00 3.08 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 71 Q 8.94 4.22 0.00 2.08 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.42 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 72 N 7.87 5.13 0.00 2.56 2.72 0.00 0.00 6.60 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 73 V 7.52 4.41 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 0.70 0.00 0.00 0.85 0.00 0.00 74 D 8.64 4.58 0.00 2.71 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 75 I 8.22 4.73 1.84 0.00 0.00 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 1.21 0.57 0.93 0.00 0.00 76 Q 8.82 4.49 0.00 1.83 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.98 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 77 N 8.81 4.99 0.00 2.79 2.71 0.00 0.00 7.05 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 78 I 9.47 4.35 2.07 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 1.49 1.18 0.93 0.00 0.00 79 G 8.01 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 0.00 0.00 0.00 80 E 8.68 4.36 0.00 1.98 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 2.32 2.25 0.00 81 T 8.22 4.65 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 82 E 7.94 5.06 0.00 1.87 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 2.31 2.26 0.00 83 C 9.31 5.18 0.00 3.05 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.61 4.40 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 0.91 0.00 0.00 0.94 0.00 0.00 85 V 8.77 4.40 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 0.27 0.00 0.00 0.92 0.00 0.00 86 E 8.75 4.94 0.00 2.04 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 87 F 9.10 5.15 0.00 3.08 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 88 K 9.23 4.35 0.00 1.75 1.84 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.62 1.42 7.81 89 T 8.28 4.52 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 1.24 0.00 0.00 90 P 0.00 4.49 0.00 2.23 2.02 0.00 4.01 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 1.95 1.97 0.00 * Residues marked with a * may have inaccurate shift predictions.