NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 G 3.7566 8.3549 109.7373 46.4117 0.0000 172.3798 -1 S 3.2552 8.3325 120.9067 58.5558 59.5754 171.2139 *3 T 4.3786 8.3128 120.1440 63.6790 71.4315 174.5298 4 T 3.4546 7.8927 107.9174 62.3875 66.8647 170.0316 5 K 4.6885 7.4845 122.1114 56.0067 36.6948 175.8647 6 R 4.7310 8.3846 111.9634 56.0819 31.7806 175.1246 7 V 4.5276 7.9492 114.9752 61.2327 32.9408 175.2458 8 L 5.4232 10.0519 126.2654 53.2115 45.4720 174.5503 9 Y 4.5716 8.9710 121.8668 55.7628 41.5991 174.3337 10 V 4.8358 8.1676 126.6040 61.2050 34.0283 174.4444 11 G 4.1648 9.9423 115.9112 45.5507 0.0000 172.7549 12 G 5.0914 9.4568 117.8314 46.9008 0.0000 173.1191 13 L 4.5641 7.8978 120.3234 53.0628 43.9212 174.6611 14 A 4.7083 7.9017 120.3087 51.2613 21.8642 176.1245 15 E 4.2436 8.6587 115.6683 57.2302 29.5807 177.3503 16 E 4.1180 7.3682 118.6608 56.5883 30.4787 176.7841 17 V 4.4318 7.4286 117.5777 61.0351 33.1214 174.8516 18 D 4.6525 8.1180 120.0066 52.4607 44.8035 175.5241 19 D 4.3865 8.6198 118.7696 56.7113 39.2181 178.6389 20 K 3.9834 7.9270 119.8220 59.3482 31.9850 179.5141 21 V 3.7370 7.7550 118.9489 64.8873 31.5908 178.1693 22 L 4.0294 8.4594 120.1992 57.6675 41.3352 179.1614 23 H 4.1551 8.4920 116.3667 59.0126 28.5042 177.7441 24 A 3.9624 7.7653 120.5425 55.1075 18.3076 179.2562 25 A 3.9534 9.0118 119.5294 54.7012 18.8547 179.0196 26 F 4.0206 8.9070 114.6682 57.9524 39.2887 177.9573 27 I 4.0641 7.6969 120.4190 62.8763 37.8320 175.4994 28 P 4.3159 0.0000 0.0000 65.9906 31.1708 178.1839 29 F 4.7385 7.3057 115.9023 57.3494 39.3363 175.8760 30 G 4.6873 7.3951 112.3604 44.7058 0.0000 171.3779 31 D 4.5355 8.2873 124.2617 54.5090 40.4613 175.9581 32 I 3.8276 7.9855 124.9484 62.1443 37.3650 176.1860 33 T 4.5275 9.3850 121.1473 64.4936 71.8237 173.6727 34 D 4.8299 7.6699 118.5265 53.0664 45.0379 174.4394 35 I 5.5588 8.0880 124.1613 59.1146 41.0804 174.0805 36 Q 4.5919 8.8320 128.0658 54.1599 32.0927 173.9171 37 I 4.6441 8.3130 126.7721 58.7581 39.2663 173.7206 38 P 4.4966 0.0000 0.0000 62.3903 32.1613 175.2703 39 L 4.8109 7.8732 118.1970 53.1557 45.9864 175.6907 40 D 4.8026 8.3413 120.0219 53.9976 42.2573 176.4660 41 Y 4.5651 7.6831 116.1484 58.2259 39.5632 176.8012 42 E 4.2161 7.2327 118.9177 57.6732 30.0967 177.0287 43 T 4.3565 7.5638 106.5193 60.2853 70.7317 173.6404 44 E 4.5326 8.4164 117.8109 55.3646 28.5901 174.6324 45 K 4.4420 7.3989 117.2219 56.2965 35.1587 176.2089 46 H 4.5723 8.7239 124.3536 55.9790 31.1936 173.2441 47 R 4.2593 9.0342 115.4462 56.1977 31.9130 178.0529 48 G 4.7592 5.7449 121.3432 46.1263 0.0000 171.2755 49 F 5.6094 7.3491 115.4256 54.9336 43.7313 174.6615 50 A 4.4606 7.8743 121.2758 51.2580 23.2893 174.4631 51 F 4.9662 8.6191 116.5282 55.7749 41.8914 175.1723 52 V 4.4705 9.0801 123.8532 60.9585 33.7877 173.7372 53 E 5.0899 9.1112 128.9452 54.5161 32.1341 174.5973 54 F 5.0545 8.4851 123.8445 55.6647 41.6107 175.3488 55 E 4.2607 9.0836 122.0169 57.6079 30.5822 176.9894 56 L 4.7245 7.9406 119.4913 52.4264 43.7843 176.6933 57 A 4.0498 8.8677 125.8501 55.5888 18.0285 179.4214 58 E 3.9377 8.1653 116.3140 59.4412 29.2221 179.0804 59 D 4.3421 7.9695 118.6065 57.1889 40.7890 178.5188 60 A 2.6517 7.4586 120.6603 54.7422 18.3233 179.3095 61 A 3.8080 7.6035 118.6189 55.3262 18.2153 179.8560 62 A 3.8103 7.7562 118.7237 55.2887 18.4267 179.7254 63 A 3.7071 7.6943 118.8261 55.1258 18.3630 179.7720 64 I 3.7969 8.2242 118.6731 64.7302 37.1106 178.0845 65 D 4.4876 8.2815 116.8628 55.4872 40.8469 177.1512 66 N 4.4237 7.6423 116.9337 55.5005 40.3552 176.0961 67 M 4.1693 8.3410 120.3032 55.8357 31.9563 175.5139 68 N 4.4422 7.3097 117.8611 54.6209 39.0255 174.0780 69 E 3.7598 8.5696 127.0145 57.8183 27.7483 174.2378 70 S 4.7651 7.6163 115.0645 56.5214 64.9029 170.9946 71 E 5.0607 8.5260 119.4324 54.3824 31.8341 175.5072 72 L 4.5233 9.1989 128.3030 54.3514 44.7386 176.0170 73 F 4.1747 9.5198 124.5775 58.8046 36.4797 175.9026 74 G 4.0118 8.6397 104.7858 46.1343 0.0000 174.0821 75 R 4.7971 8.1526 118.0459 54.2197 34.3509 174.8551 76 T 5.4279 8.7795 119.1861 62.3812 69.8786 173.7976 77 I 5.1730 8.4627 119.7786 59.1990 41.1521 174.5533 78 R 5.0385 9.4239 122.3433 54.5032 33.5151 174.7488 79 V 5.7136 8.2946 121.9193 60.7856 34.8157 173.7368 80 N 4.9432 8.3941 121.9102 52.2600 42.6061 172.7888 81 L 4.6782 8.5063 125.6710 54.6264 42.7650 176.4811 82 A 4.6230 9.1341 129.4107 52.2625 19.7439 177.4667 83 K 4.0527 8.3258 116.8932 57.8030 32.0980 175.4774 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 G 8.35 3.76 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 0.00 0.00 0.00 -1 S 8.33 3.26 0.00 4.13 3.90 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 *3 T 8.31 4.38 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 1.27 0.00 0.00 4 T 7.89 3.45 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 5 K 7.48 4.69 0.00 1.75 1.79 0.00 1.73 0.00 0.00 1.78 0.00 0.00 3.11 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.47 1.39 7.81 6 R 8.38 4.73 0.00 1.97 2.17 0.00 3.18 0.00 0.00 3.40 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.95 0.00 7 V 7.95 4.53 2.25 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 0.75 0.00 0.00 1.01 0.00 0.00 8 L 10.05 5.42 0.00 1.73 1.74 1.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 9 Y 8.97 4.57 0.00 2.82 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 10 V 8.17 4.84 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 1.10 0.00 0.00 0.83 0.00 0.00 11 G 9.94 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 0.00 0.00 0.00 12 G 9.46 5.09 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 0.00 13 L 7.90 4.56 0.00 1.78 1.68 0.95 0.83 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 14 A 7.90 4.71 1.21 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 0.00 0.00 15 E 8.66 4.24 0.00 1.89 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 2.24 2.26 0.00 16 E 7.37 4.12 0.00 1.16 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 2.03 1.96 0.00 17 V 7.43 4.43 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.09 0.00 0.00 18 D 8.12 4.65 0.00 2.77 2.58 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 19 D 8.62 4.39 0.00 2.74 2.82 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 0.00 0.00 0.00 20 K 7.93 3.98 0.00 1.82 1.92 0.00 1.70 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.45 7.81 21 V 7.75 3.74 2.29 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 1.22 0.00 0.00 1.05 0.00 0.00 22 L 8.46 4.03 0.00 1.66 1.28 0.82 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.49 4.16 0.00 3.33 3.28 0.00 5.64 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 24 A 7.77 3.96 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 25 A 9.01 3.95 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.91 4.02 0.00 3.12 3.34 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 27 I 7.70 4.06 2.11 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 1.16 1.77 0.88 0.00 0.00 28 P 0.00 4.32 0.00 2.17 2.03 0.00 3.19 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.61 0.00 29 F 7.31 4.74 0.00 3.21 3.09 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 30 G 7.40 4.69 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 D 8.29 4.54 0.00 2.76 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 32 I 7.99 3.83 1.78 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 0.78 0.00 0.00 33 T 9.38 4.53 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 1.26 0.00 0.00 34 D 7.67 4.83 0.00 2.74 2.41 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 5.56 1.69 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.13 0.83 0.00 0.00 36 Q 8.83 4.59 0.00 2.03 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 37 I 8.31 4.64 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.75 0.82 0.00 0.00 38 P 0.00 4.50 0.00 2.23 2.10 0.00 3.63 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 2.03 2.17 0.00 39 L 7.87 4.81 0.00 1.60 1.46 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.34 4.80 0.00 2.68 2.36 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.68 4.57 0.00 3.07 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 42 E 7.23 4.22 0.00 1.55 1.89 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 2.32 2.10 0.00 43 T 7.56 4.36 4.19 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 1.13 0.00 0.00 44 E 8.42 4.53 0.00 2.19 2.10 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 2.18 2.22 0.00 45 K 7.40 4.44 0.00 1.96 1.76 0.00 1.58 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.29 1.32 7.81 46 H 8.72 4.57 0.00 3.07 3.21 0.00 5.71 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 9.03 4.26 0.00 1.41 1.43 0.00 3.43 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 48 G 5.74 4.76 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 0.00 0.00 0.00 49 F 7.35 5.61 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 50 A 7.87 4.46 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 51 F 8.62 4.97 0.00 3.05 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 52 V 9.08 4.47 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 0.45 0.00 0.00 0.29 0.00 0.00 53 E 9.11 5.09 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 2.21 2.35 0.00 54 F 8.49 5.05 0.00 3.08 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 55 E 9.08 4.26 0.00 2.12 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 2.35 2.21 0.00 56 L 7.94 4.72 0.00 1.94 1.58 1.02 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.87 4.05 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 58 E 8.17 3.94 0.00 2.03 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 2.39 2.40 0.00 59 D 7.97 4.34 0.00 2.92 2.82 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 0.00 0.00 0.00 60 A 7.46 2.65 1.13 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 0.00 0.00 0.00 0.00 0.00 61 A 7.60 3.81 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 62 A 7.76 3.81 1.47 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 0.00 0.00 0.00 63 A 7.69 3.71 1.63 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 0.00 0.00 64 I 8.22 3.80 1.93 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 1.54 1.27 0.89 0.00 0.00 65 D 8.28 4.49 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 66 N 7.64 4.42 0.00 2.38 1.71 0.00 0.00 6.56 7.84 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 67 M 8.34 4.17 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.89 0.00 68 N 7.31 4.44 0.00 2.79 2.71 0.00 0.00 7.55 8.09 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 69 E 8.57 3.76 0.00 2.16 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 0.00 2.23 2.22 0.00 70 S 7.62 4.77 0.00 3.92 3.69 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 0.00 0.00 0.00 0.00 71 E 8.53 5.06 0.00 1.91 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 2.19 2.42 0.00 72 L 9.20 4.52 0.00 1.66 1.53 0.86 1.02 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 73 F 9.52 4.17 0.00 3.29 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 74 G 8.64 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 0.00 0.00 0.00 75 R 8.15 4.80 0.00 1.88 1.95 0.00 3.33 0.00 0.00 3.21 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 76 T 8.78 5.43 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 1.28 0.00 0.00 77 I 8.46 5.17 2.03 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 1.41 1.04 1.12 0.00 0.00 78 R 9.42 5.04 0.00 1.80 1.81 0.00 3.07 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 79 V 8.29 5.71 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 1.13 0.00 0.00 1.16 0.00 0.00 80 N 8.39 4.94 0.00 2.84 2.59 0.00 0.00 6.64 6.65 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 81 L 8.51 4.68 0.00 1.73 1.61 0.93 1.16 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 82 A 9.13 4.62 1.57 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 0.00 0.00 0.00 0.00 0.00 0.00 83 K 8.33 4.05 0.00 1.85 1.76 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.