NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3896 8.2649 123.5925 51.9659 19.9635 175.8391 3 I 4.0734 8.2607 120.5516 59.3390 38.3939 173.8523 4 D 4.5861 8.3745 125.1390 53.0985 42.7813 176.7013 5 V 2.6731 8.3425 127.2969 64.9386 30.8126 177.9826 6 L 4.6522 7.9629 118.7160 56.0496 41.5248 178.1715 7 D 4.5004 7.9714 118.3135 55.4577 41.0448 178.0199 8 V 3.9799 7.2302 117.6647 63.1999 32.6886 175.7037 9 I 4.3490 7.4419 119.6772 58.3058 40.2301 175.4275 10 S 4.4532 8.3016 120.4303 57.9572 64.9069 174.7997 11 L 4.0903 8.5914 125.1928 58.6338 41.7759 179.4228 12 S 4.1370 8.1245 113.5129 61.5508 62.7037 176.1886 13 L 3.8260 7.7081 123.3333 57.7304 41.3233 178.7580 14 F 3.8385 7.7456 117.5597 60.6642 38.7393 177.9144 15 K 4.1966 8.2146 117.8979 59.4857 31.8169 179.5194 16 Q 4.0132 8.0718 118.5879 58.8277 28.3841 178.1394 17 Q 4.0761 8.0282 120.0535 58.8261 29.0684 178.0096 18 I 4.2620 7.2832 109.1736 59.3783 38.7488 175.2478 19 E 3.7215 8.0230 118.1865 58.2179 27.3006 175.3862 20 F 4.6721 8.6141 119.5647 56.6656 41.1759 174.1051 21 E 4.3294 8.2428 127.4050 57.1371 30.3052 176.6253 22 E 4.2858 7.1416 117.3970 55.9564 30.4322 175.8807 23 D 4.9413 8.4955 118.8198 54.4387 41.4571 176.8396 24 D 4.8080 8.1367 117.8437 53.8004 39.9412 176.6503 25 R 4.7344 7.8631 118.8971 55.9248 31.4363 177.3213 26 D 4.3826 8.4728 120.7716 57.5410 40.7361 178.0102 27 E 3.8560 8.0188 119.2516 59.0381 29.8135 178.3647 28 L 3.6360 7.7049 119.8647 58.1229 42.1223 178.7199 29 I 3.8518 7.9198 120.0460 64.8723 36.9637 178.5539 30 T 3.6866 8.1256 116.7730 66.3492 68.1339 176.4453 31 L 3.8999 7.7962 122.2728 58.3689 42.0140 178.6563 32 Y 4.3972 7.8499 116.4221 61.1252 37.8222 178.4438 33 A 3.7136 8.3612 121.8969 55.1831 18.2195 179.7534 34 Q 4.0363 8.4207 116.6310 58.9662 28.7272 178.7683 35 A 4.0864 8.4319 121.8040 55.1558 18.4081 179.5299 36 A 4.0983 8.4795 119.4873 55.3457 18.3215 179.5840 37 F 4.2874 8.3098 117.7987 61.5903 39.5811 176.3743 38 D 4.4424 8.4401 116.6408 57.4741 41.2952 177.1989 39 Y 4.3523 8.3267 120.0057 60.9747 38.7259 179.4003 40 C 4.4821 8.2825 115.9036 60.2231 28.1493 175.9526 *42 R 4.1476 7.9862 121.7237 56.0837 31.7947 177.8816 43 W 3.8300 8.1125 126.5190 60.5500 31.1352 177.0124 44 C 4.1243 8.7630 116.3963 61.0909 28.2578 173.1066 45 D 4.3348 7.1081 116.9528 55.3958 39.5187 174.7999 46 E 4.0011 6.7687 120.2211 53.2765 29.5553 173.8919 47 P 4.2116 0.0000 0.0000 64.5287 31.7910 178.0863 48 A 3.9790 7.4511 120.9580 54.3996 18.3515 177.4527 49 W 4.7523 7.6118 115.2734 56.9319 28.2458 175.8195 50 K 4.4408 9.7652 124.3189 57.0061 32.8962 177.5480 51 V 4.5850 7.6535 109.8430 58.7988 35.9476 175.9160 52 A 3.9456 8.8728 123.9386 55.6860 18.0346 179.9526 53 A 4.1510 7.8348 115.8624 54.3801 18.6345 178.1761 54 D 4.3951 8.1579 115.5358 56.1933 41.1769 176.8222 55 I 2.9709 7.1205 120.6114 59.6841 37.4704 174.9092 56 P 4.2245 0.0000 0.0000 61.9567 33.2328 177.2249 57 A 3.9238 8.4667 121.9949 55.4049 18.3950 180.1705 58 A 3.9970 7.9133 118.7927 55.2459 18.4337 179.8849 59 V 3.6340 7.6562 116.4147 65.9700 31.6773 178.1989 60 K 4.0577 8.0960 118.5365 59.4038 31.9283 179.4419 61 G 3.6360 8.2477 105.7106 47.8222 0.0000 175.5964 62 A 4.0727 8.0376 123.1349 54.7575 18.2843 179.8476 63 V 3.7276 8.2183 117.0715 66.3462 31.6817 178.2828 64 L 4.2257 8.1295 118.6570 57.8022 41.4079 179.6098 65 L 4.0697 8.0454 118.9333 57.8169 41.3810 179.7199 66 V 3.5902 7.8991 117.1354 65.7938 31.5505 177.5093 67 F 4.3353 8.5612 119.4961 61.4045 39.6287 176.6509 68 A 3.8049 8.3124 120.3491 54.8247 18.0202 179.4703 69 D 3.9652 7.8293 114.0742 55.1505 41.2155 177.8417 *71 F 3.8547 7.9807 121.0250 57.2389 40.9696 175.7100 72 E 3.9255 7.8619 118.5335 57.7526 29.6515 175.7773 73 H 4.7046 7.9306 115.9731 54.2488 29.2294 173.6761 74 R 4.2908 8.3239 123.0542 56.0879 30.9763 176.9234 75 T 4.6102 7.4109 107.2121 59.1836 71.2116 174.2533 76 A 4.0957 8.6156 126.2274 54.3634 18.7783 177.8375 77 Q 4.6821 7.8287 113.3536 53.9939 32.0702 174.7655 78 S 4.8166 8.2001 114.8529 56.1357 66.0812 174.0091 79 E 4.0808 8.7201 119.2914 58.2203 29.9458 177.3198 80 V 4.3008 7.3061 112.0825 58.8909 33.5475 175.3194 81 Q 3.8771 8.4743 125.4063 56.0123 29.5417 175.1472 82 L 4.4941 7.8527 124.0712 53.0123 43.8424 175.3293 83 Y 4.6528 8.0354 119.1795 55.5595 40.4088 175.3896 84 E 3.7939 8.9364 125.4927 56.5647 30.2810 175.6470 85 N 4.5652 8.7482 124.7893 52.4607 38.9695 175.0651 86 A 4.0359 8.7116 128.8498 55.1143 18.0899 178.5542 87 A 3.9650 8.2556 118.5831 55.2211 18.3611 179.5444 88 A 4.0691 7.6286 118.3090 55.2383 18.6309 179.2491 89 E 3.7244 7.9496 114.1427 59.0379 31.0931 178.2154 90 R 4.2136 7.6445 120.2998 56.0997 28.0138 176.5512 *93 F 4.9587 7.8877 122.9889 58.2767 41.5041 176.2978 94 I 4.1026 7.8203 118.1165 63.1415 37.7915 175.6372 95 H 5.0535 8.0119 114.3780 56.0607 30.5192 173.2626 96 R 4.1877 7.6319 119.5960 55.4500 30.5826 175.9808 97 N 4.2813 7.9314 119.1506 53.8536 38.7905 174.6577 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 A 8.26 4.39 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 3 I 8.26 4.07 2.28 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 0.97 0.00 0.00 4 D 8.37 4.59 0.00 2.66 2.68 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 0.00 0.00 0.00 0.00 5 V 8.34 2.67 1.73 0.00 0.00 0.00 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 0.99 0.00 0.00 6 L 7.96 4.65 0.00 1.70 1.76 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 7 D 7.97 4.50 0.00 2.74 2.67 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 0.00 0.00 0.00 8 V 7.23 3.98 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 0.85 0.00 0.00 0.72 0.00 0.00 9 I 7.44 4.35 1.30 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 -0.20 0.00 0.00 10 S 8.30 4.45 0.00 4.01 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 0.00 11 L 8.59 4.09 0.00 1.80 1.75 0.93 0.88 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 12 S 8.12 4.14 0.00 4.08 4.12 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 13 L 7.71 3.83 0.00 1.63 1.42 0.83 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.75 3.84 0.00 3.09 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 15 K 8.21 4.20 0.00 2.06 2.28 0.00 1.77 0.00 0.00 2.00 0.00 0.00 3.22 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.60 1.75 7.81 16 Q 8.07 4.01 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.73 0.00 0.00 0.00 0.00 0.00 2.38 2.55 0.00 17 Q 8.03 4.08 0.00 2.06 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.08 0.00 0.00 0.00 0.00 0.00 2.83 2.64 0.00 18 I 7.28 4.26 1.40 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.86 0.71 0.00 0.00 19 E 8.02 3.72 0.00 2.17 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 2.29 2.40 0.00 20 F 8.61 4.67 0.00 2.71 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 21 E 8.24 4.33 0.00 1.85 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 2.19 2.21 0.00 22 E 7.14 4.29 0.00 1.92 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 1.64 1.88 0.00 23 D 8.50 4.94 0.00 2.68 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 24 D 8.14 4.81 0.00 2.85 2.83 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 25 R 7.86 4.73 0.00 1.73 1.85 0.00 3.31 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.67 0.00 26 D 8.47 4.38 0.00 2.70 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.02 3.86 0.00 2.01 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 2.31 2.32 0.00 28 L 7.70 3.64 0.00 1.63 1.49 0.56 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.92 3.85 1.97 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 1.56 0.47 1.01 0.00 0.00 30 T 8.13 3.69 4.32 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 1.14 0.00 0.00 31 L 7.80 3.90 0.00 1.72 1.58 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.85 4.40 0.00 3.38 2.88 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 33 A 8.36 3.71 0.20 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 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.42 4.04 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.54 0.00 35 A 8.43 4.09 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 0.00 0.00 0.00 0.00 0.00 36 A 8.48 4.10 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 0.00 0.00 0.00 0.00 0.00 37 F 8.31 4.29 0.00 3.16 3.35 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 38 D 8.44 4.44 0.00 2.87 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 39 Y 8.33 4.35 0.00 3.19 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.28 4.48 0.00 3.09 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 *42 R 7.99 4.15 0.00 1.80 1.97 0.00 3.26 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 43 W 8.11 3.83 0.00 2.81 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 44 C 8.76 4.12 0.00 3.22 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 45 D 7.11 4.33 0.00 2.84 2.39 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 46 E 6.77 4.00 0.00 1.16 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 1.47 1.47 0.00 47 P 0.00 4.21 0.00 1.98 2.02 0.00 3.50 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.95 0.00 48 A 7.45 3.98 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 49 W 7.61 4.75 0.00 3.43 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 50 K 9.77 4.44 0.00 1.76 1.91 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.61 7.81 51 V 7.65 4.58 2.11 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 0.81 0.00 0.00 1.03 0.00 0.00 52 A 8.87 3.95 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 53 A 7.83 4.15 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 54 D 8.16 4.40 0.00 2.87 2.77 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 55 I 7.12 2.97 1.73 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 1.46 0.89 0.73 0.00 0.00 56 P 0.00 4.22 0.00 1.72 1.72 0.00 2.51 0.00 0.00 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 57 A 8.47 3.92 1.28 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 0.00 0.00 0.00 58 A 7.91 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.66 3.63 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 1.22 0.00 0.00 0.94 0.00 0.00 60 K 8.10 4.06 0.00 2.01 1.77 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.49 7.81 61 G 8.25 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.04 4.07 1.48 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 0.00 0.00 63 V 8.22 3.73 2.39 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 1.49 0.00 0.00 1.27 0.00 0.00 64 L 8.13 4.23 0.00 1.97 1.79 0.83 0.04 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 65 L 8.05 4.07 0.00 1.94 1.75 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.90 3.59 2.23 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 0.77 0.00 0.00 1.01 0.00 0.00 67 F 8.56 4.34 0.00 3.20 3.58 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 68 A 8.31 3.80 1.46 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 0.00 0.00 0.00 0.00 0.00 0.00 69 D 7.83 3.97 0.00 2.88 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 *71 F 7.98 3.85 0.00 2.35 2.83 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 72 E 7.86 3.93 0.00 1.61 1.71 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 2.51 2.37 0.00 73 H 7.93 4.70 0.00 3.08 3.15 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.32 4.29 0.00 1.71 1.90 0.00 3.22 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.38 0.00 75 T 7.41 4.61 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 1.18 0.00 0.00 76 A 8.62 4.10 1.28 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 0.00 0.00 0.00 77 Q 7.83 4.68 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.27 0.00 78 S 8.20 4.82 0.00 3.86 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 79 E 8.72 4.08 0.00 2.08 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 2.25 2.25 0.00 80 V 7.31 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 0.71 0.00 0.00 0.89 0.00 0.00 81 Q 8.47 3.88 0.00 1.87 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.75 0.00 0.00 0.00 0.00 0.00 1.70 2.14 0.00 82 L 7.85 4.49 0.00 1.46 1.38 0.73 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.04 4.65 0.00 2.93 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 84 E 8.94 3.79 0.00 1.93 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 2.30 2.30 0.00 85 N 8.75 4.57 0.00 2.78 2.71 0.00 0.00 7.07 8.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.71 4.04 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 87 A 8.26 3.97 1.39 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 88 A 7.63 4.07 1.28 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 0.00 0.00 0.00 89 E 7.95 3.72 0.00 1.93 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 2.26 2.57 0.00 90 R 7.64 4.21 0.00 1.93 1.96 0.00 3.12 0.00 0.00 3.01 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 *93 F 7.89 4.96 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 94 I 7.82 4.10 2.19 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.86 0.95 0.00 0.00 95 H 8.01 5.05 0.00 3.37 3.64 0.00 5.95 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.63 4.19 0.00 1.54 1.45 0.00 2.46 0.00 0.00 2.63 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.08 0.00 97 N 7.93 4.28 0.00 2.82 2.47 0.00 0.00 6.99 6.93 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 * Residues marked with a * may have inaccurate shift predictions.