NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *19 W 4.7275 8.1333 121.3333 56.0938 31.0983 177.2153 20 K 3.9898 8.0417 117.8527 58.5034 31.6123 177.2949 21 D 4.3566 8.8402 119.4630 57.5040 41.6753 178.0359 22 K 4.2990 8.0463 118.3499 58.9715 32.1085 178.9294 23 E 3.9550 8.7055 120.4467 59.2184 29.5383 178.6415 24 F 4.1890 8.4261 120.6506 61.5016 39.4529 177.0832 25 Q 3.9658 8.2034 117.5035 58.8934 28.4525 179.0781 26 V 3.5845 8.1588 119.5272 66.0615 31.5487 178.1434 27 L 4.0481 8.1399 118.8685 57.5498 41.3289 179.3366 28 F 3.3291 8.3512 121.0695 60.9683 39.2520 177.2216 29 V 3.3596 7.9033 117.8860 66.1015 31.2640 177.9248 30 L 3.8951 8.1461 118.9353 58.0399 41.3214 179.7789 31 T 3.6142 7.7587 115.8318 66.4582 68.2755 176.8833 32 I 3.3630 7.2880 121.9747 64.2800 36.9797 178.4812 33 L 3.9935 7.9756 120.0990 58.1462 41.4586 179.8048 34 T 3.9446 8.0387 115.7982 66.6096 68.3619 176.8069 35 L 4.2369 8.1147 121.1521 57.5499 41.5137 179.6150 36 I 3.7277 8.1341 120.5005 64.4231 37.0809 178.2383 37 S 4.1987 8.5054 114.4594 61.4783 62.1774 176.4799 38 G 3.6479 8.0185 109.1358 46.9896 0.0000 176.0952 39 T 4.0497 8.0764 118.0759 66.6336 68.5023 176.8088 40 I 3.6435 8.0163 122.0020 64.2305 37.2330 178.2418 41 F 3.4454 7.8461 121.2460 61.4926 39.2542 176.9006 42 Y 4.2054 7.8303 116.4917 60.8690 37.6252 178.5285 43 S 4.8684 8.4019 117.0289 61.3686 63.1375 175.6698 44 T 4.0473 7.6408 113.1438 63.3438 68.6354 176.8384 45 V 3.3427 7.2424 123.5511 64.3600 31.6920 177.0597 46 E 4.4430 7.8961 115.4180 55.0494 30.4359 175.4761 47 G 4.4172 7.4698 107.1774 46.2941 0.0000 173.4370 48 L 4.5473 7.2411 116.8886 52.5259 44.2866 177.3183 49 R 4.3139 8.0177 119.2758 55.5414 31.9229 176.2370 50 P 4.2497 0.0000 0.0000 65.9900 31.3434 178.9629 51 I 3.7125 7.7107 116.7894 64.1386 37.9391 177.5601 52 D 4.3239 8.0161 119.2288 57.1753 40.7440 178.3906 53 A 4.1215 8.4433 121.8493 54.9592 18.2995 179.5120 54 L 3.9947 8.3553 119.2232 58.4559 42.1939 178.5009 55 Y 3.9556 8.3674 119.7627 60.6964 38.7302 177.8819 56 F 4.1447 8.9406 121.9785 61.3023 39.4303 177.2482 57 S 4.3451 8.4205 114.8763 61.6397 62.7343 176.8587 58 V 3.4490 7.9038 120.9079 66.2376 31.3185 178.6183 59 V 3.5953 7.4030 113.1749 63.6000 31.2068 178.9463 60 T 3.6533 7.4446 115.8715 66.5439 68.1596 176.8730 61 L 4.0160 7.7768 119.0889 56.7002 41.5230 178.4525 62 T 4.1641 7.6124 108.4766 60.9179 69.0133 175.8910 63 T 3.5159 7.6058 110.7167 62.2767 68.3008 173.0016 64 V 3.5359 7.2790 122.7878 65.0965 31.5995 177.6903 65 G 3.9662 8.3194 102.5789 45.5446 0.0000 172.1179 66 D 4.9284 8.3455 117.8304 52.1107 42.4570 176.6521 67 G 3.7491 8.9334 115.5630 47.0316 0.0000 172.6569 68 N 4.9190 8.3428 115.7911 52.7761 40.9463 174.5116 69 F 4.9376 7.8874 119.7651 56.1992 41.6774 174.5769 70 S 4.3405 7.0397 121.7942 55.6114 66.5656 172.0919 71 P 4.0423 0.0000 0.0000 63.4901 31.5764 176.1199 72 Q 4.2623 9.1651 120.5696 57.0296 29.8631 176.9169 73 T 4.5312 7.9465 108.6132 60.6575 71.8974 175.3708 74 D 4.5221 8.5263 120.5835 56.8909 40.9878 178.8190 75 F 4.8159 8.4098 121.4761 61.2720 39.4920 177.3318 76 G 3.9587 8.7111 105.6698 47.5171 0.0000 176.0768 77 K 4.1688 8.0930 121.2789 59.4289 32.1618 179.5210 78 I 3.9063 7.8467 113.0682 63.6467 37.5018 178.1523 79 F 3.8250 8.0737 122.1296 61.3388 39.0526 177.0949 80 T 4.0615 8.2666 115.4596 66.8825 68.2004 176.4678 81 I 3.7721 7.9240 121.4653 64.6015 37.2064 178.5796 82 L 4.0856 7.8826 119.7224 57.7875 40.9316 178.8624 83 Y 3.9545 8.3317 120.0700 60.5262 38.5956 178.2438 84 I 3.4978 7.9433 120.8129 64.5346 37.0471 178.5537 85 F 4.0690 7.6538 116.8276 60.4226 38.7740 177.4200 86 I 4.1079 7.8987 118.7016 63.1134 37.3122 177.6040 87 G 3.6584 8.0199 105.8183 45.8399 0.0000 175.9642 88 I 3.9897 7.7623 122.4390 64.2265 37.0933 178.5062 89 G 3.6784 8.0519 106.0498 47.7692 0.0000 175.2700 90 L 3.9707 7.8087 122.7570 57.8230 42.1533 179.0355 91 V 3.5251 7.8946 118.2931 66.0352 31.3335 177.9433 92 F 3.9852 8.5392 117.5463 59.8714 38.7620 178.1113 93 G 3.6512 8.2491 105.9547 47.5576 0.0000 175.6722 94 F 4.2298 8.6354 123.4085 61.2322 39.4277 177.2987 95 I 3.4725 8.0085 119.6778 64.4549 36.7533 177.9362 96 H 4.1226 8.5228 119.2619 59.3521 29.6983 177.5952 97 K 3.9387 8.2028 120.3087 59.1574 31.8337 179.1783 98 L 3.7073 8.1088 120.9999 57.8306 41.8689 178.9250 99 A 4.2180 7.8905 122.0343 54.8750 18.1997 179.8060 100 V 3.5322 7.6945 115.3021 64.9530 31.7618 176.9195 101 N 4.7540 8.0463 113.3727 52.8286 39.4194 174.6181 102 V 3.9837 7.0606 117.9849 64.1044 33.7022 177.4303 103 Q 3.9002 8.5048 118.9405 58.6807 28.4362 178.3882 104 L 3.8790 8.0112 121.5520 57.9019 42.0810 177.3424 105 P 4.2057 0.0000 0.0000 65.4602 31.2382 178.6248 106 S 4.0210 7.8644 111.6197 61.3192 62.0990 176.2338 107 I 3.6826 7.9337 121.7662 64.3697 37.1457 178.0866 108 L 4.1338 8.2352 120.4014 57.8486 41.1912 179.7877 109 S 4.1528 8.3137 114.3882 61.3853 62.7118 175.6784 110 N 4.6311 8.0796 117.6471 54.2775 38.5830 176.0950 111 L 4.4992 7.4261 119.3174 53.6067 42.6624 176.7251 112 V 3.7236 6.9008 119.2180 61.8412 31.9462 173.7319 113 P 4.5757 0.0000 0.0000 62.4572 32.3527 176.3461 114 R 4.1905 8.2703 118.6103 56.5624 30.9602 175.1714 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 *19 W 8.13 4.73 0.00 2.44 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 20 K 8.04 3.99 0.00 1.88 1.92 0.00 1.63 0.00 0.00 1.96 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.57 7.81 21 D 8.84 4.36 0.00 2.80 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 22 K 8.05 4.30 0.00 1.85 1.87 0.00 1.77 0.00 0.00 1.98 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.56 1.46 7.81 23 E 8.71 3.96 0.00 2.05 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 0.00 2.40 2.38 0.00 24 F 8.43 4.19 0.00 3.16 3.26 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 0.00 25 Q 8.20 3.97 0.00 2.37 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.48 2.74 0.00 26 V 8.16 3.58 2.27 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 1.07 0.00 0.00 1.05 0.00 0.00 27 L 8.14 4.05 0.00 1.97 1.92 1.03 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.35 3.33 0.00 2.66 2.99 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 29 V 7.90 3.36 2.21 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 1.02 0.00 0.00 1.08 0.00 0.00 30 L 8.15 3.90 0.00 1.74 1.62 0.91 0.61 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 31 T 7.76 3.61 3.49 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 0.76 0.00 0.00 32 I 7.29 3.36 1.39 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 -0.26 0.72 0.00 0.00 33 L 7.98 3.99 0.00 1.73 1.68 0.89 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.04 3.94 4.30 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 1.18 0.00 0.00 35 L 8.11 4.24 0.00 1.75 1.72 0.78 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.13 3.73 2.01 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 0.91 0.00 0.00 37 S 8.51 4.20 0.00 3.93 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 0.00 38 G 8.02 3.65 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 0.00 0.00 0.00 39 T 8.08 4.05 4.43 0.00 0.00 0.00 0.00 0.00 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 40 I 8.02 3.64 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 1.39 1.25 0.86 0.00 0.00 41 F 7.85 3.45 0.00 2.54 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 0.00 0.00 0.00 42 Y 7.83 4.21 0.00 3.21 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 43 S 8.40 4.87 0.00 4.11 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 44 T 7.64 4.05 4.11 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 0.00 0.00 0.00 1.16 0.00 0.00 45 V 7.24 3.34 0.78 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 0.61 0.00 0.00 0.21 0.00 0.00 46 E 7.90 4.44 0.00 2.35 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 0.00 2.30 2.65 0.00 47 G 7.47 4.42 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 0.00 0.00 0.00 48 L 7.24 4.55 0.00 1.64 1.38 0.13 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.02 4.31 0.00 1.79 1.81 0.00 3.11 0.00 0.00 3.31 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 50 P 0.00 4.25 0.00 2.15 2.11 0.00 3.58 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 2.10 2.13 0.00 51 I 7.71 3.71 1.88 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 1.65 1.49 0.89 0.00 0.00 52 D 8.02 4.32 0.00 2.82 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 8.44 4.12 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 54 L 8.36 3.99 0.00 1.87 1.97 0.95 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 55 Y 8.37 3.96 0.00 3.17 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 56 F 8.94 4.14 0.00 3.14 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 57 S 8.42 4.35 0.00 4.25 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 0.00 58 V 7.90 3.45 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 0.88 0.00 0.00 0.93 0.00 0.00 59 V 7.40 3.60 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 0.16 0.00 0.00 0.79 0.00 0.00 60 T 7.44 3.65 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 1.13 0.00 0.00 61 L 7.78 4.02 0.00 1.42 1.51 0.40 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.61 4.16 4.18 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 0.00 0.00 0.00 1.04 0.00 0.00 63 T 7.61 3.52 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 1.23 0.00 0.00 64 V 7.28 3.54 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 0.75 0.00 0.00 0.91 0.00 0.00 65 G 8.32 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 0.00 0.00 0.00 66 D 8.35 4.93 0.00 2.98 2.95 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 67 G 8.93 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 0.00 0.00 0.00 68 N 8.34 4.92 0.00 2.75 2.91 0.00 0.00 6.67 8.78 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 69 F 7.89 4.94 0.00 3.03 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 70 S 7.04 4.34 0.00 3.60 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.04 0.00 2.08 2.18 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.23 0.00 72 Q 9.17 4.26 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.43 0.00 73 T 7.95 4.53 4.35 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 1.30 0.00 0.00 74 D 8.53 4.52 0.00 2.88 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 75 F 8.41 4.82 0.00 3.04 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 76 G 8.71 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 77 K 8.09 4.17 0.00 1.87 1.95 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.52 1.74 7.81 78 I 7.85 3.91 1.97 0.00 0.00 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 1.53 1.07 1.15 0.00 0.00 79 F 8.07 3.82 0.00 2.40 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 80 T 8.27 4.06 4.62 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 1.47 0.00 0.00 81 I 7.92 3.77 2.11 0.00 0.00 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 1.62 1.67 1.09 0.00 0.00 82 L 7.88 4.09 0.00 1.65 1.62 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 8.33 3.95 0.00 1.96 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 84 I 7.94 3.50 1.86 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.55 0.46 0.00 0.00 85 F 7.65 4.07 0.00 2.99 3.07 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 86 I 7.90 4.11 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 1.69 0.73 0.89 0.00 0.00 87 G 8.02 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 0.00 0.00 0.00 88 I 7.76 3.99 1.87 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.59 0.99 0.00 0.00 89 G 8.05 3.68 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 0.00 0.00 0.00 90 L 7.81 3.97 0.00 1.74 1.77 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.89 3.53 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 0.65 0.00 0.00 0.79 0.00 0.00 92 F 8.54 3.99 0.00 3.29 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 93 G 8.25 3.65 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 0.00 0.00 0.00 94 F 8.64 4.23 0.00 2.99 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 95 I 8.01 3.47 1.92 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.50 0.91 0.00 0.00 96 H 8.52 4.12 0.00 3.36 3.52 0.00 5.78 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 97 K 8.20 3.94 0.00 2.05 2.02 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.56 7.81 98 L 8.11 3.71 0.00 1.29 1.56 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.89 4.22 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.69 3.53 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 0.82 0.00 0.00 0.80 0.00 0.00 101 N 8.05 4.75 0.00 2.73 2.73 0.00 0.00 6.72 8.21 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 0.00 102 V 7.06 3.98 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 0.76 0.00 0.00 -0.21 0.00 0.00 103 Q 8.50 3.90 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.57 0.00 0.00 0.00 0.00 0.00 2.31 2.42 0.00 104 L 8.01 3.88 0.00 1.79 1.77 0.89 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.21 0.00 2.11 2.02 0.00 3.65 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 2.18 2.08 0.00 106 S 7.86 4.02 0.00 3.89 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 0.00 107 I 7.93 3.68 1.99 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 1.50 0.74 0.89 0.00 0.00 108 L 8.24 4.13 0.00 1.79 1.69 0.89 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.31 4.15 0.00 4.01 4.18 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 0.00 0.00 0.00 0.00 110 N 8.08 4.63 0.00 2.89 2.89 0.00 0.00 6.98 7.46 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 0.00 111 L 7.43 4.50 0.00 1.75 1.69 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 112 V 6.90 3.72 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 0.76 0.00 0.00 1.00 0.00 0.00 113 P 0.00 4.58 0.00 2.21 2.02 0.00 3.75 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 1.97 1.97 0.00 114 R 8.27 4.19 0.00 1.75 1.79 0.00 3.23 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.75 0.00 * Residues marked with a * may have inaccurate shift predictions.