NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 I 4.2138 8.0093 118.5520 59.9987 37.0269 174.2792 4 M 4.8914 8.2939 121.9571 51.6821 34.9973 173.0772 5 D 4.5715 9.4688 119.7961 54.8695 42.4920 176.9190 6 E 4.8247 8.6344 120.4119 54.8523 33.6449 174.6790 7 I 4.5980 7.9866 122.1790 59.4433 42.5177 174.1024 *9 V 3.9378 8.0841 120.7272 63.0913 31.9390 173.7446 10 N 5.2450 8.6853 124.1404 51.6436 39.6632 173.4595 11 L 4.6549 8.9970 123.8300 52.7479 43.5364 177.6149 12 Q 4.1077 8.6475 121.7393 58.5933 28.9681 177.4628 13 K 4.3272 7.6803 115.2582 55.9987 33.7739 176.1839 14 E 4.3192 8.4714 119.7169 56.1364 30.2772 176.8034 15 V 4.7423 8.1623 115.3467 59.2853 34.9170 176.3924 16 S 4.6475 8.7850 118.8390 57.2229 65.4665 175.3267 17 L 2.8146 8.2395 122.6594 57.9458 41.7199 178.3494 18 E 3.8600 8.0029 118.5718 59.3418 29.6719 178.4198 19 E 3.9393 8.1250 118.3218 59.4355 29.5074 179.2670 20 A 4.1602 8.1809 120.9945 55.1133 18.1996 179.2983 21 E 2.8226 8.0952 117.0568 58.9885 29.7744 178.6525 22 R 3.9264 7.7196 117.5909 59.6085 30.4716 177.6243 23 Y 4.2322 7.9949 116.1847 61.0362 37.7713 179.2638 24 A 3.9292 7.8194 117.8564 53.0503 17.7782 178.7478 *26 N 4.5132 8.0757 119.6277 54.8651 40.6887 177.1748 27 I 3.5068 7.7195 117.1715 64.3699 37.3250 177.2551 28 A 4.0643 7.8688 122.3644 55.2349 18.2006 179.5681 29 S 4.6825 7.0769 111.5978 57.7720 61.4090 175.3352 *31 Y 4.4461 7.7262 116.7955 57.8180 40.6674 176.8634 32 G 3.6067 6.3711 106.3451 45.2594 0.0000 171.1933 33 D 4.4951 8.5399 124.3938 53.6671 41.9224 177.7063 34 G 4.1920 8.6528 115.1230 45.6217 0.0000 172.4389 35 I 4.4266 8.7921 129.8229 59.4028 38.1115 175.3738 36 L 3.8773 8.6381 130.5104 55.1868 41.8630 176.0646 37 L 4.7468 8.9945 127.3960 56.5905 42.9970 177.0410 38 S 5.1149 7.8529 111.1252 57.2089 66.6766 173.4406 39 V 4.8644 8.9569 120.0239 60.3788 35.0358 173.7695 40 H 4.7434 8.7302 121.4371 54.3655 33.5814 171.3717 41 D 4.6389 8.5479 125.5795 51.9225 42.5967 177.2880 42 S 4.5115 8.2533 126.7441 58.9440 61.4086 176.0226 *44 T 4.1430 8.2429 111.1277 60.4413 70.3911 174.8764 45 G 3.8881 8.2646 109.9164 44.7359 0.0000 172.9542 46 Y 4.4070 7.5914 121.7335 58.0205 39.7574 175.2056 47 R 4.5990 7.3487 120.3341 54.3163 33.0509 173.9187 48 A 4.5773 8.2939 121.5786 49.3351 22.5575 174.6932 49 P 4.4777 0.0000 0.0000 61.9279 32.4286 177.1280 50 E 4.1166 8.2121 119.2336 55.3584 27.4137 173.9430 51 V 4.3537 7.4058 114.0187 59.1045 34.1854 174.8922 52 Y 4.6989 8.1460 124.0691 57.9216 41.5371 175.4259 *53 C 3.9605 9.2142 117.3505 58.5074 25.3312 173.7013 54 C 4.7937 7.7363 110.8590 57.6084 29.1152 173.7088 55 G 3.8083 7.9176 110.4182 48.3593 0.0000 173.1103 *56 E 4.1837 8.0076 117.0481 55.0920 31.0993 179.1612 57 K 2.0000 8.2244 125.4761 54.7521 29.5897 174.2281 58 P 4.0548 0.0000 0.0000 65.4672 31.4901 178.3939 59 W 4.0624 7.5263 116.1921 59.1732 27.9545 177.9071 60 E 3.0178 6.6572 120.0971 58.5531 29.0410 178.6461 61 V 3.3799 7.2054 117.7699 66.0740 31.3165 176.8886 62 Y 4.0253 7.8723 117.8149 60.8077 38.9059 177.8648 63 A 3.9723 7.7369 121.0391 55.4530 18.5726 179.4357 64 C 4.0941 8.1991 115.5223 62.9461 27.9498 175.9542 65 N 4.4917 8.0956 116.6911 54.9576 38.0426 176.5078 66 R 4.5126 7.3882 118.6229 55.3372 30.9089 176.0892 67 G 3.7689 7.8446 104.9634 46.1488 0.0000 174.5300 68 A 4.3046 8.1635 122.0664 52.6353 18.6753 177.8851 69 N 5.1181 9.1473 117.4643 52.3564 39.2839 173.3065 70 L 5.0534 7.5047 120.5010 54.1713 46.5120 173.5300 *72 I 4.5031 8.1934 118.7722 61.5783 38.5258 175.0772 73 S 5.3164 9.1508 124.0955 56.8930 64.8417 174.3815 74 V 4.4812 8.9478 123.5090 61.7582 34.2755 176.6744 75 N 4.0070 8.6374 127.5871 54.5734 38.9071 177.0795 76 Q 4.0361 8.7954 128.4568 58.1243 29.1936 174.8228 77 F 5.0874 8.2746 119.0329 56.1741 41.4064 174.5362 78 E 5.0078 8.9143 122.0606 54.5021 32.5845 174.8626 79 F 5.2092 9.2777 123.1286 55.8137 41.9398 174.2757 80 Y 4.8443 9.0125 121.4608 56.4531 40.0194 174.7411 81 F 5.3818 9.5126 123.7265 55.7080 42.6325 175.0404 82 R 4.8165 8.9721 123.4712 55.0746 31.1049 175.3527 83 I 4.6046 9.4260 129.4243 61.0058 37.8024 175.5091 84 E 4.7121 9.3571 127.9347 54.9259 31.4632 175.8705 85 V 4.7280 8.1471 115.8136 59.3423 34.8487 175.8345 86 E 3.9425 9.1024 121.7890 57.7891 29.7065 177.6853 87 G 4.3779 8.1621 111.1652 45.9943 0.0000 172.6122 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 I 8.01 4.21 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 1.47 1.21 0.91 0.00 0.00 4 M 8.29 4.89 0.00 2.09 2.15 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.74 0.00 5 D 9.47 4.57 0.00 2.57 2.55 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 6 E 8.63 4.82 0.00 1.80 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 2.23 2.56 0.00 7 I 7.99 4.60 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.96 0.00 0.00 *9 V 8.08 3.94 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 0.89 0.00 0.00 0.99 0.00 0.00 10 N 8.69 5.24 0.00 2.70 2.72 0.00 0.00 7.04 7.85 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 11 L 9.00 4.65 0.00 1.47 1.48 0.17 0.73 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 12 Q 8.65 4.11 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.05 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 13 K 7.68 4.33 0.00 1.89 1.83 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.11 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.41 1.48 7.81 14 E 8.47 4.32 0.00 2.01 1.96 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 2.33 2.29 0.00 15 V 8.16 4.74 2.20 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 0.82 0.00 0.00 1.15 0.00 0.00 16 S 8.79 4.65 0.00 4.07 4.04 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 17 L 8.24 2.81 0.00 1.69 1.62 0.88 0.76 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 18 E 8.00 3.86 0.00 2.04 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 2.34 2.37 0.00 19 E 8.13 3.94 0.00 2.35 2.15 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 2.35 2.34 0.00 20 A 8.18 4.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.10 2.82 0.00 2.09 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 2.25 2.10 0.00 22 R 7.72 3.93 0.00 1.86 1.95 0.00 3.21 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 1.44 1.56 0.00 23 Y 7.99 4.23 0.00 3.27 2.92 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 24 A 7.82 3.93 1.05 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 0.00 0.00 *26 N 8.08 4.51 0.00 2.95 2.84 0.00 0.00 7.04 7.32 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 27 I 7.72 3.51 2.01 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 1.04 0.00 0.00 28 A 7.87 4.06 0.47 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 29 S 7.08 4.68 0.00 3.98 3.97 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 *31 Y 7.73 4.45 0.00 3.03 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 32 G 6.37 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.54 4.50 0.00 2.72 2.69 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 34 G 8.65 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 0.00 0.00 0.00 0.00 35 I 8.79 4.43 2.05 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 1.35 1.12 0.98 0.00 0.00 36 L 8.64 3.88 0.00 1.54 1.59 0.42 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.99 4.75 0.00 1.76 1.79 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 38 S 7.85 5.11 0.00 4.11 4.17 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 39 V 8.96 4.86 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 0.77 0.00 0.00 0.54 0.00 0.00 40 H 8.73 4.74 0.00 1.55 2.76 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 41 D 8.55 4.64 0.00 2.72 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 42 S 8.25 4.51 0.00 3.75 3.82 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 *44 T 8.24 4.14 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 45 G 8.26 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 0.00 0.00 0.00 46 Y 7.59 4.41 0.00 3.10 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 47 R 7.35 4.60 0.00 1.45 1.14 0.00 2.42 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.46 0.00 48 A 8.29 4.58 1.16 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 49 P 0.00 4.48 0.00 1.89 1.86 0.00 3.46 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.66 0.00 50 E 8.21 4.12 0.00 1.99 1.95 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 2.54 2.59 0.00 51 V 7.41 4.35 1.99 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 0.65 0.00 0.00 0.84 0.00 0.00 52 Y 8.15 4.70 0.00 2.88 2.78 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 *53 C 9.21 3.96 0.00 2.90 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 54 C 7.74 4.79 0.00 3.01 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 55 G 7.92 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 *56 E 8.01 4.18 0.00 2.00 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 2.20 1.89 0.00 57 K 8.22 2.00 0.00 1.29 0.74 0.00 1.64 0.00 0.00 1.87 0.00 0.00 2.92 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.14 1.12 7.81 58 P 0.00 4.05 0.00 2.16 2.19 0.00 3.11 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 2.13 1.98 0.00 59 W 7.53 4.06 0.00 3.50 3.37 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 60 E 6.66 3.02 0.00 1.34 1.49 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 2.00 1.71 0.00 61 V 7.21 3.38 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 0.89 0.00 0.00 0.78 0.00 0.00 62 Y 7.87 4.03 0.00 2.94 3.15 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 63 A 7.74 3.97 1.36 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 0.00 0.00 64 C 8.20 4.09 0.00 2.85 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 65 N 8.10 4.49 0.00 2.70 2.78 0.00 0.00 6.93 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 66 R 7.39 4.51 0.00 1.66 1.76 0.00 3.22 0.00 0.00 3.00 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.14 0.00 67 G 7.84 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 68 A 8.16 4.30 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 9.15 5.12 0.00 2.67 2.89 0.00 0.00 6.69 8.25 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 70 L 7.50 5.05 0.00 1.76 1.64 0.88 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 *72 I 8.19 4.50 2.22 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.52 1.04 0.00 0.00 73 S 9.15 5.32 0.00 3.75 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.95 4.48 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 1.05 0.00 0.00 1.09 0.00 0.00 75 N 8.64 4.01 0.00 2.94 1.88 0.00 0.00 7.08 7.21 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 76 Q 8.80 4.04 0.00 1.88 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.91 0.00 0.00 0.00 0.00 0.00 1.16 1.80 0.00 77 F 8.27 5.09 0.00 3.18 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 78 E 8.91 5.01 0.00 1.95 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 2.28 2.30 0.00 79 F 9.28 5.21 0.00 3.04 2.65 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 80 Y 9.01 4.84 0.00 2.95 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 81 F 9.51 5.38 0.00 3.11 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 82 R 8.97 4.82 0.00 1.94 1.90 0.00 3.10 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 1.61 1.78 0.00 83 I 9.43 4.60 1.92 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 1.44 0.96 1.00 0.00 0.00 84 E 9.36 4.71 0.00 1.91 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 2.28 2.32 0.00 85 V 8.15 4.73 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 0.79 0.00 0.00 0.95 0.00 0.00 86 E 9.10 3.94 0.00 1.96 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 2.32 2.31 0.00 87 G 8.16 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.