NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 T 4.3325 8.2745 112.9196 60.7224 69.8633 173.5315 5 Q 4.6012 8.5381 125.1928 51.2731 31.1891 169.5628 6 D 4.9141 8.5239 119.3137 53.0401 43.9642 175.7725 7 C 5.0195 8.1908 121.0827 53.7170 43.6692 171.7798 8 P 4.5364 0.0000 0.0000 62.2513 32.0020 175.5123 9 E 4.1843 8.8446 124.9923 56.7313 30.5203 177.2470 10 C 4.7039 8.7499 125.6467 56.9140 42.0159 171.9240 11 T 4.6541 8.6598 123.3461 62.0657 73.2661 172.3596 12 L 4.8217 8.5326 122.2526 54.7429 42.5879 176.9938 13 Q 4.6234 9.0936 124.0291 54.3287 32.2479 173.6509 14 E 4.9198 8.4437 120.5565 54.5089 31.1333 174.8306 15 N 4.6217 9.1423 127.0695 52.5373 40.0458 173.1448 16 P 4.8020 0.0000 0.0000 62.6925 31.8862 175.8360 17 F 4.5915 8.7252 123.1363 59.1957 40.7983 176.2576 18 F 4.6227 8.0400 116.7659 57.9510 39.8574 175.8934 19 S 4.4358 7.7023 116.4425 58.5089 62.7211 173.5652 20 Q 4.5229 8.5681 125.3692 53.3377 30.0512 173.8803 21 P 4.3998 0.0000 0.0000 64.3375 31.6827 176.4165 22 G 3.8108 9.4804 110.3551 46.2565 0.0000 173.9164 23 A 4.5516 7.5274 115.2692 50.7920 21.3053 175.2931 24 P 4.8006 0.0000 0.0000 61.8296 33.2449 176.4401 25 I 4.6583 8.8814 120.7797 59.7005 39.9678 174.6153 26 L 5.0714 9.2749 127.6341 53.4323 43.8914 175.4538 27 Q 4.8128 8.7559 123.2259 54.4611 32.6944 173.5974 28 C 5.1867 9.0778 123.1680 56.5970 42.0275 172.7612 29 M 4.9018 10.0274 123.5288 53.0100 36.0121 176.2051 30 G 4.3950 7.8263 107.4693 44.7259 0.0000 172.3039 31 C 5.1182 8.4691 117.6829 55.4160 42.4254 173.5389 32 C 5.2208 8.4468 117.9478 54.8734 42.5885 173.6475 33 F 4.4634 8.8451 124.5973 58.4970 40.1285 174.0758 34 S 4.8137 7.0501 118.9870 57.2282 66.3866 172.8962 35 R 4.5727 8.7590 115.1400 55.3345 32.9178 173.7721 36 A 5.2798 8.7050 121.8256 49.6339 21.8880 174.7625 37 Y 5.0174 7.2711 119.7138 54.0112 42.3724 172.8987 38 P 4.8337 0.0000 0.0000 62.8108 32.1272 176.4224 39 T 4.1538 8.1131 119.6869 62.9319 69.1828 172.6680 40 P 4.5393 0.0000 0.0000 61.8834 32.4500 177.1462 41 L 3.9485 8.6507 121.9851 58.8051 42.2133 178.9206 42 R 3.9709 8.1494 116.9359 60.0742 29.9559 178.5580 43 S 4.1540 8.1131 113.5912 61.9035 62.8964 176.9264 44 K 4.0021 8.0008 120.4932 59.3249 31.4636 178.7115 45 K 4.6411 7.7839 116.0198 57.0625 32.1253 177.7590 46 T 4.5481 8.0126 115.8969 63.1077 70.6837 173.9590 47 M 4.4846 7.8610 121.6440 53.4307 33.3864 175.9674 48 L 3.9813 8.7518 126.2395 57.2620 42.5379 176.9937 49 V 4.2627 7.3956 118.7915 59.3546 32.1805 175.3129 50 Q 4.0367 8.6417 124.4736 55.8092 29.1138 176.1468 51 K 4.5360 8.4123 121.7813 54.5575 34.1872 176.0915 52 N 4.5795 8.6638 120.8737 54.0296 38.0756 174.5436 53 V 4.7278 7.3774 118.0246 61.3902 34.7551 174.2841 54 T 4.5070 8.3485 122.9264 61.6365 71.1909 172.9306 55 S 4.8481 8.5313 120.4375 56.3880 64.9329 172.6055 56 E 4.9274 9.1960 127.0343 54.5785 31.8819 175.1846 57 S 4.9988 8.6424 117.9424 57.2347 65.9837 173.2680 58 T 4.8850 7.9509 111.3806 60.5070 71.8176 172.4156 59 C 4.8462 9.2203 118.2565 55.3422 45.3444 172.9569 60 C 4.7433 8.8518 122.3733 57.3128 37.7928 172.4879 61 V 4.5902 8.6542 118.9917 59.0391 36.3047 174.5051 62 A 4.4913 8.2440 123.4489 51.7042 18.3721 177.7068 63 K 4.1020 9.4144 126.2093 59.0408 32.9178 177.1862 64 S 4.9331 7.6397 112.5081 57.3244 66.6019 172.3988 65 Y 5.0117 7.4660 117.1289 56.8605 40.3582 172.5557 66 N 4.9617 8.7796 117.3355 51.2183 42.3702 174.0772 67 R 4.7018 8.7717 120.7051 56.2204 30.3245 175.8333 68 V 4.6583 8.5400 119.0276 59.6692 35.3957 174.5474 69 T 5.0565 8.2852 115.9963 62.8333 72.2685 173.9899 70 V 4.4409 9.0502 117.6475 59.4440 37.0432 174.4962 71 M 3.3812 9.2194 118.5879 56.4755 30.0322 177.0775 72 G 4.0172 8.7842 111.1803 44.3440 0.0000 173.4988 73 G 4.1351 7.7159 104.1095 44.5045 0.0000 172.2745 74 F 4.7816 8.2538 119.6460 56.9807 40.0541 175.2444 75 K 4.6880 8.5637 122.8450 54.5958 31.4705 175.6094 76 V 4.0174 7.6820 121.3267 61.1781 34.0533 174.5364 77 E 4.8595 8.3975 121.5459 54.9265 31.2540 174.8761 78 N 4.6637 8.9498 124.8628 52.2351 39.7225 174.1409 79 H 5.1827 8.4910 124.1868 56.0087 29.7907 175.8021 80 T 4.8341 8.9613 109.4605 60.3918 70.0405 173.3531 81 A 4.8661 7.3551 128.0699 52.9902 21.5893 177.2012 82 C 5.5086 8.3466 119.2672 55.2295 45.3492 172.5915 83 H 4.6247 8.2266 113.3043 55.5640 31.7208 172.6972 84 C 4.9233 8.8644 117.7369 56.7399 36.7343 172.9086 85 S 4.4549 9.0356 117.9524 56.6131 66.4417 172.2814 86 T 3.9446 8.4452 113.9180 62.8891 67.3234 173.6953 87 C 4.2517 8.8128 128.0239 58.7784 44.2981 173.6412 88 Y 4.1620 7.6015 120.5616 57.3248 36.1445 175.6837 *89 Y 4.2341 7.6971 120.9599 56.6641 37.1368 176.1900 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 4 T 8.27 4.33 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 5 Q 8.54 4.60 0.00 2.11 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.17 1.98 0.00 6 D 8.52 4.91 0.00 2.63 2.59 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 7 C 8.19 5.02 0.00 2.92 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 8 P 0.00 4.54 0.00 2.12 1.96 0.00 3.66 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 2.11 2.09 0.00 9 E 8.84 4.18 0.00 1.99 1.87 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 2.31 2.34 0.00 10 C 8.75 4.70 0.00 3.18 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 11 T 8.66 4.65 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 1.23 0.00 0.00 12 L 8.53 4.82 0.00 1.53 1.65 0.94 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 9.09 4.62 0.00 1.95 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 14 E 8.44 4.92 0.00 1.97 1.84 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 2.22 2.29 0.00 15 N 9.14 4.62 0.00 3.04 2.94 0.00 0.00 6.46 7.24 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 16 P 0.00 4.80 0.00 2.23 2.12 0.00 3.81 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 17 F 8.73 4.59 0.00 2.64 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 18 F 8.04 4.62 0.00 3.13 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 19 S 7.70 4.44 0.00 3.99 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 20 Q 8.57 4.52 0.00 2.14 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.24 6.93 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 21 P 0.00 4.40 0.00 2.03 2.01 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 22 G 9.48 3.81 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 0.00 0.00 0.00 23 A 7.53 4.55 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 24 P 0.00 4.80 0.00 2.22 2.08 0.00 3.73 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 2.00 2.00 0.00 25 I 8.88 4.66 1.98 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 1.29 1.01 0.89 0.00 0.00 26 L 9.27 5.07 0.00 1.80 1.60 0.95 0.49 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 27 Q 8.76 4.81 0.00 2.13 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 28 C 9.08 5.19 0.00 2.88 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 29 M 10.03 4.90 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 30 G 7.83 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 0.00 0.00 0.00 0.00 31 C 8.47 5.12 0.00 2.93 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.45 5.22 0.00 2.78 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 33 F 8.85 4.46 0.00 3.21 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 34 S 7.05 4.81 0.00 3.67 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 35 R 8.76 4.57 0.00 1.90 1.92 0.00 3.01 0.00 0.00 3.53 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 36 A 8.70 5.28 1.09 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 37 Y 7.27 5.02 0.00 3.10 3.12 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 0.00 0.00 0.00 38 P 0.00 4.83 0.00 2.16 2.14 0.00 4.03 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.07 0.00 39 T 8.11 4.15 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 1.24 0.00 0.00 40 P 0.00 4.54 0.00 2.23 1.99 0.00 3.74 0.00 0.00 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.18 0.00 41 L 8.65 3.95 0.00 1.62 1.71 0.93 0.92 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 42 R 8.15 3.97 0.00 1.95 1.99 0.00 3.25 0.00 0.00 3.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 43 S 8.11 4.15 0.00 4.00 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 44 K 8.00 4.00 0.00 2.02 1.87 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.63 7.81 45 K 7.78 4.64 0.00 1.93 1.82 0.00 1.53 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.52 7.81 46 T 8.01 4.55 4.47 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 0.00 0.00 0.00 1.21 0.00 0.00 47 M 7.86 4.48 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.45 0.00 48 L 8.75 3.98 0.00 1.59 1.68 0.91 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.40 4.26 2.07 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 0.80 0.00 0.00 0.91 0.00 0.00 50 Q 8.64 4.04 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.33 0.00 51 K 8.41 4.54 0.00 1.66 1.67 0.00 1.60 0.00 0.00 1.89 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.39 7.81 52 N 8.66 4.58 0.00 2.86 3.05 0.00 0.00 5.62 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 53 V 7.38 4.73 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 0.72 0.00 0.00 0.90 0.00 0.00 54 T 8.35 4.51 3.62 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 1.09 0.00 0.00 55 S 8.53 4.85 0.00 3.75 3.66 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 0.00 0.00 0.00 56 E 9.20 4.93 0.00 2.09 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 2.31 2.30 0.00 57 S 8.64 5.00 0.00 3.78 3.74 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 58 T 7.95 4.89 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 1.33 0.00 0.00 59 C 9.22 4.85 0.00 2.68 2.85 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 0.00 0.00 0.00 60 C 8.85 4.74 0.00 2.97 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 61 V 8.65 4.59 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 0.87 0.00 0.00 0.96 0.00 0.00 62 A 8.24 4.49 0.94 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 0.00 0.00 63 K 9.41 4.10 0.00 1.49 1.84 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.09 7.81 64 S 7.64 4.93 0.00 3.85 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 65 Y 7.47 5.01 0.00 3.11 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 66 N 8.78 4.96 0.00 2.62 2.66 0.00 0.00 7.16 7.28 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 67 R 8.77 4.70 0.00 1.86 2.07 0.00 3.05 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 68 V 8.54 4.66 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 0.97 0.00 0.00 69 T 8.29 5.06 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 1.29 0.00 0.00 70 V 9.05 4.44 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 0.82 0.00 0.00 1.09 0.00 0.00 71 M 9.22 3.38 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.70 0.00 72 G 8.78 4.02 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 0.00 0.00 0.00 73 G 7.72 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 74 F 8.25 4.78 0.00 3.23 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 75 K 8.56 4.69 0.00 1.74 1.84 0.00 1.22 0.00 0.00 2.41 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.29 7.81 76 V 7.68 4.02 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 -0.20 0.00 0.00 0.78 0.00 0.00 77 E 8.40 4.86 0.00 2.10 1.93 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 2.02 2.08 0.00 78 N 8.95 4.66 0.00 2.87 2.93 0.00 0.00 6.77 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 79 H 8.49 5.18 0.00 3.24 3.24 0.00 5.69 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 80 T 8.96 4.83 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 1.24 0.00 0.00 81 A 7.36 4.87 1.27 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 0.00 0.00 0.00 82 C 8.35 5.51 0.00 2.85 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 83 H 8.23 4.62 0.00 3.13 3.33 0.00 5.25 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.86 4.92 0.00 2.88 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 85 S 9.04 4.45 0.00 3.43 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.45 3.94 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 1.21 0.00 0.00 87 C 8.81 4.25 0.00 2.82 2.66 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 0.00 0.00 0.00 88 Y 7.60 4.16 0.00 3.05 2.93 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 *89 Y 7.70 4.23 0.00 2.33 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.