NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2635 8.1744 117.3720 63.7948 69.7538 173.7803 3 N 4.5846 8.2753 123.2757 52.2489 40.2866 170.7740 4 R 4.8193 8.5071 124.2356 54.4638 33.7586 172.7716 5 L 4.7835 9.3533 129.0056 53.1347 44.9960 174.9503 6 V 4.8468 8.3889 125.3126 61.0183 33.9993 174.3390 7 L 4.6620 8.9030 129.4892 53.7800 45.2435 175.6842 8 S 5.1044 8.7703 122.1659 57.0839 65.1321 174.1279 9 G 3.9550 7.4580 107.8900 46.3563 0.0000 171.2076 10 T 5.0708 7.8784 116.0287 61.3213 71.4887 174.3895 11 V 4.3018 9.0097 127.4281 63.4574 32.1391 175.8028 12 C 4.7902 9.0800 122.0154 58.0949 31.0894 173.8538 13 R 4.6531 7.7844 120.4778 54.5143 32.8704 174.0146 14 A 4.1397 8.8169 128.1732 51.2565 19.4949 174.8962 15 P 4.5201 0.0000 0.0000 62.9971 32.1735 175.9993 16 L 4.2456 8.9544 128.5190 54.8959 42.9967 175.8397 17 R 5.3617 8.5000 124.9252 54.5784 33.3335 174.8313 18 K 4.6222 8.9071 120.3407 56.1407 36.5712 174.3868 19 V 4.9500 8.1269 120.1409 60.9645 34.2752 175.4682 20 S 4.5027 9.0533 122.3271 57.0711 64.0185 173.3118 21 P 4.2167 0.0000 0.0000 65.9184 30.9839 178.1113 22 S 4.2155 7.9345 109.4851 59.3953 63.0812 174.6299 23 G 3.8763 8.4457 109.9858 45.5344 0.0000 172.9650 24 I 4.2609 7.6612 121.5140 58.7769 38.6914 173.6659 25 P 4.8465 0.0000 0.0000 63.0680 32.8147 175.0459 26 H 5.3580 9.7471 119.2162 54.2685 33.3129 171.9185 27 C 5.2368 9.1049 121.8007 57.7830 35.0794 172.5186 28 Q 5.1375 9.4174 125.0736 54.1523 32.1345 174.5915 29 F 5.3624 8.4424 117.8385 55.5040 42.5586 173.0116 30 V 4.5886 8.5238 117.9400 60.9337 34.2619 173.8087 31 L 4.9430 8.4898 129.2880 53.3455 43.9552 174.8923 32 E 4.4354 9.3965 129.0084 55.4618 30.9516 173.9794 33 H 5.2516 9.2680 128.5651 54.5351 31.9918 173.7894 34 R 5.3697 7.9574 121.2021 54.9074 32.5375 174.0505 35 S 4.6669 8.8006 115.9801 57.9334 67.0326 174.0558 36 V 4.8423 8.3881 119.9268 60.2182 32.7898 175.2350 37 Q 4.7680 9.2889 123.4587 53.9602 32.5840 173.8128 38 E 4.8986 8.5572 121.8214 54.8671 31.4576 175.1052 39 E 4.1295 8.3982 126.6543 55.4214 32.2930 174.8036 40 A 3.7607 9.6071 129.4341 53.0399 16.2504 177.6875 41 G 3.9620 8.3327 107.6885 46.4624 0.0000 174.1745 42 F 4.9721 7.2197 114.8478 55.0901 40.2203 174.0921 43 H 5.2972 8.6708 119.6287 55.2912 29.8633 174.6950 44 R 4.8217 9.0728 122.5884 54.4895 33.9922 173.6652 45 Q 4.7658 8.9022 126.2133 55.9190 30.1339 174.6206 46 A 5.0121 9.3499 128.2449 49.9831 21.9302 174.9269 47 W 5.7351 8.7210 130.8607 56.1934 34.2045 173.5621 48 C 3.8064 8.1548 125.0030 58.1199 34.8465 172.6812 49 Q 4.6148 7.4475 123.1934 53.5254 31.5571 173.0240 *51 P 4.2073 0.0000 0.0000 62.4572 33.3207 175.9008 52 V 4.4843 8.3682 123.1889 60.7997 34.8359 173.8620 53 I 4.8139 8.1448 126.9904 59.0159 41.2207 174.0307 54 V 4.5756 9.0109 129.3716 61.4643 33.3556 174.3250 55 S 5.1282 9.0014 123.6407 57.7094 65.8466 175.1831 56 G 3.9876 8.3660 107.0978 45.6750 0.0000 173.6671 57 H 4.3883 8.4924 115.6099 58.6033 28.9744 178.2045 58 E 4.0793 8.2453 117.7544 58.5695 29.4299 177.2176 59 N 4.9903 7.9266 113.1637 52.9732 39.6053 175.9321 60 Q 4.1325 8.1978 120.0462 58.8182 28.6686 177.8226 61 A 4.0273 8.1504 121.3453 55.7566 18.2328 179.2962 62 I 3.6384 7.8131 115.7132 64.5411 38.0006 177.8762 63 T 3.7765 7.7440 116.6378 66.9222 68.0437 175.3566 64 H 4.4297 8.0797 115.5624 57.0465 28.8168 175.9584 65 S 4.5705 7.9240 116.4431 58.0887 63.2232 173.6357 66 I 4.1776 7.3486 122.9540 59.7138 37.9591 174.9660 67 T 4.6122 8.3904 114.9589 58.9016 71.9250 173.2424 68 V 3.9060 8.1222 121.3535 64.4374 31.6500 175.5614 69 G 4.0704 8.9552 116.1017 45.3257 0.0000 174.0897 70 S 4.1991 8.1422 117.1111 58.8290 64.0694 173.5809 71 R 5.0692 8.5999 124.0155 55.0263 31.7520 175.5392 72 I 5.1509 8.6203 116.6511 59.7407 42.2994 173.8676 73 T 5.1335 9.0878 118.6627 61.7389 71.8471 173.4330 74 V 4.8569 8.7822 126.0798 61.0339 34.5880 173.8485 75 Q 4.9280 8.8395 128.8664 54.5649 31.8082 174.5241 76 G 4.5761 8.4133 112.0508 47.6295 0.0000 171.5064 77 F 5.5159 8.0143 115.4878 54.9658 41.0077 174.9757 78 I 4.7113 8.4197 114.2152 60.3771 39.2286 174.8482 79 S 4.7703 9.0016 118.3409 57.1740 65.4838 172.8819 80 C 5.6952 8.8999 122.6345 56.8941 31.2428 172.7081 *89 K 3.9305 7.9950 119.2659 56.7132 33.3610 174.3117 *91 V 4.0362 7.7772 116.7363 62.7750 33.1038 173.8062 92 L 4.6266 8.3956 129.6705 54.0766 43.6165 174.9791 93 H 4.7575 8.7483 125.1568 54.2766 29.6163 174.7738 94 A 4.4099 8.4734 127.0144 52.2269 18.1493 176.6351 95 E 4.5868 9.7468 122.2163 57.0826 32.5752 176.3422 96 Q 4.6805 7.9179 116.6333 54.0689 33.3957 174.3499 97 I 5.0353 8.4458 122.6824 59.4412 40.6721 174.2656 98 E 4.6093 9.3409 127.9970 54.1437 32.0550 174.7240 99 L 4.4815 8.5409 127.7130 54.4375 42.4368 177.1564 100 I 4.0237 8.3329 124.4410 61.5293 36.7244 176.0867 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 T 8.17 4.26 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 1.21 0.00 0.00 3 N 8.28 4.58 0.00 2.78 2.70 0.00 0.00 6.76 6.77 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 4 R 8.51 4.82 0.00 1.83 1.76 0.00 3.26 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 5 L 9.35 4.78 0.00 1.71 1.44 0.88 0.60 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 6 V 8.39 4.85 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 0.85 0.00 0.00 0.93 0.00 0.00 7 L 8.90 4.66 0.00 1.69 1.39 0.66 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.77 5.10 0.00 3.93 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 9 G 7.46 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 0.00 0.00 0.00 10 T 7.88 5.07 4.27 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 1.27 0.00 0.00 11 V 9.01 4.30 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 1.06 0.00 0.00 0.78 0.00 0.00 12 C 9.08 4.79 0.00 3.04 3.04 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 0.00 13 R 7.78 4.65 0.00 1.89 1.90 0.00 3.20 0.00 0.00 3.37 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 14 A 8.82 4.14 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 15 P 0.00 4.52 0.00 1.92 2.11 0.00 3.63 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.88 0.00 16 L 8.95 4.25 0.00 1.80 1.56 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.50 5.36 0.00 1.70 1.79 0.00 3.27 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 18 K 8.91 4.62 0.00 1.79 1.88 0.00 1.26 0.00 0.00 1.57 0.00 0.00 2.78 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.42 7.81 19 V 8.13 4.95 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 0.87 0.00 0.00 0.94 0.00 0.00 20 S 9.05 4.50 0.00 4.06 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 21 P 0.00 4.22 0.00 2.07 2.18 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 22 S 7.93 4.22 0.00 3.99 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 23 G 8.45 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 0.00 0.00 0.00 24 I 7.66 4.26 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 1.26 0.75 0.74 0.00 0.00 25 P 0.00 4.85 0.00 2.07 2.15 0.00 3.33 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 2.01 1.91 0.00 26 H 9.75 5.36 0.00 3.01 3.14 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 9.10 5.24 0.00 2.98 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 28 Q 9.42 5.14 0.00 1.95 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.33 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 29 F 8.44 5.36 0.00 3.33 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 30 V 8.52 4.59 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 0.90 0.00 0.00 0.92 0.00 0.00 31 L 8.49 4.94 0.00 1.77 1.52 1.04 1.01 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 32 E 9.40 4.44 0.00 2.07 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 2.36 2.31 0.00 33 H 9.27 5.25 0.00 3.21 3.00 0.00 5.59 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 R 7.96 5.37 0.00 1.91 2.02 0.00 3.19 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 35 S 8.80 4.67 0.00 3.89 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 36 V 8.39 4.84 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 0.70 0.00 0.00 0.98 0.00 0.00 37 Q 9.29 4.77 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.44 0.00 38 E 8.56 4.90 0.00 1.98 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 2.08 2.27 0.00 39 E 8.40 4.13 0.00 1.77 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 1.98 2.14 0.00 40 A 9.61 3.76 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 41 G 8.33 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 0.00 0.00 0.00 42 F 7.22 4.97 0.00 3.23 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 43 H 8.67 5.30 0.00 3.12 3.30 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 9.07 4.82 0.00 2.09 1.90 0.00 3.29 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 45 Q 8.90 4.77 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.46 0.00 0.00 0.00 0.00 0.00 2.44 2.43 0.00 46 A 9.35 5.01 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 47 W 8.72 5.74 0.00 3.24 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 48 C 8.15 3.81 0.00 2.81 2.42 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 49 Q 7.45 4.61 0.00 1.70 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.28 0.00 0.00 0.00 0.00 0.00 2.21 1.87 0.00 *51 P 0.00 4.21 0.00 1.95 1.89 0.00 3.41 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 1.91 2.00 0.00 52 V 8.37 4.48 0.67 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 0.57 0.00 0.00 0.63 0.00 0.00 53 I 8.14 4.81 1.66 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 1.06 1.44 0.48 0.00 0.00 54 V 9.01 4.58 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 1.00 0.00 0.00 1.06 0.00 0.00 55 S 9.00 5.13 0.00 3.81 3.75 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 56 G 8.37 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 57 H 8.49 4.39 0.00 3.21 3.36 0.00 5.63 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.25 4.08 0.00 1.96 2.04 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 2.34 2.42 0.00 59 N 7.93 4.99 0.00 2.70 2.82 0.00 0.00 6.95 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 8.20 4.13 0.00 2.08 2.19 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 2.68 2.53 0.00 61 A 8.15 4.03 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 62 I 7.81 3.64 1.88 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 1.62 1.59 0.99 0.00 0.00 63 T 7.74 3.78 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 1.17 0.00 0.00 64 H 8.08 4.43 0.00 3.27 3.34 0.00 5.63 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 7.92 4.57 0.00 3.94 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 66 I 7.35 4.18 1.69 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.39 0.33 0.00 0.00 67 T 8.39 4.61 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 1.17 0.00 0.00 68 V 8.12 3.91 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 0.80 0.00 0.00 0.94 0.00 0.00 69 G 8.96 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 70 S 8.14 4.20 0.00 3.79 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 71 R 8.60 5.07 0.00 1.75 1.85 0.00 3.07 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 72 I 8.62 5.15 1.94 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 1.22 0.93 0.84 0.00 0.00 73 T 9.09 5.13 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 74 V 8.78 4.86 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 1.06 0.00 0.00 75 Q 8.84 4.93 0.00 2.10 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.38 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 76 G 8.41 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.01 5.52 0.00 3.25 3.19 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 78 I 8.42 4.71 1.87 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 1.28 0.70 0.88 0.00 0.00 79 S 9.00 4.77 0.00 3.97 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 80 C 8.90 5.70 0.00 2.97 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 *89 K 7.99 3.93 0.00 1.94 2.01 0.00 1.50 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.42 7.81 *91 V 7.78 4.04 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 0.73 0.00 0.00 0.84 0.00 0.00 92 L 8.40 4.63 0.00 1.65 1.46 0.90 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.75 4.76 0.00 1.40 2.62 0.00 5.67 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 94 A 8.47 4.41 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 95 E 9.75 4.59 0.00 2.02 2.02 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 2.37 2.51 0.00 96 Q 7.92 4.68 0.00 1.96 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 97 I 8.45 5.04 1.90 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.66 0.94 0.00 0.00 98 E 9.34 4.61 0.00 1.96 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 2.19 2.25 0.00 99 L 8.54 4.48 0.00 1.56 1.59 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 100 I 8.33 4.02 2.01 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 1.09 0.47 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.