NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *-3 Y 4.4023 8.1449 119.1438 56.7398 39.0221 176.0003 -2 F 4.5484 7.9951 115.9556 56.4488 39.5493 174.4205 -1 Q 4.2142 7.5504 122.5371 57.0307 30.7010 174.9371 0 G 3.5260 9.0226 114.1366 45.5510 0.0000 171.2608 -1 K 4.1942 7.5204 123.1371 57.5307 34.4010 175.5371 0 F 4.1860 8.9926 125.6366 58.1510 35.7323 172.1608 4 A 5.0449 9.1941 126.4194 50.7907 20.4740 175.8271 5 V 4.8435 9.0889 123.3859 61.2314 34.3645 174.3505 6 A 4.8119 8.5539 129.6218 51.1477 20.1138 176.2558 7 V 4.9192 8.8257 122.5109 61.3231 35.4377 174.5078 8 S 4.8359 8.7441 122.5469 57.0391 66.6756 174.6053 9 G 3.9460 8.9583 112.9051 47.1740 0.0000 172.7119 10 D 4.4373 8.1680 112.1912 54.6294 40.3755 172.2829 11 R 4.8487 7.7230 114.8771 53.2930 33.4096 175.2041 12 V 4.2296 8.1588 121.0906 63.5443 32.8738 174.6745 13 N 5.4337 9.1297 125.5386 52.0401 43.0975 173.6753 14 G 4.3486 8.5746 105.8421 45.1691 0.0000 173.6843 15 P 4.4074 0.0000 0.0000 65.4873 31.4917 178.1574 16 G 3.8050 8.0730 106.1539 46.8389 0.0000 173.6134 17 E 4.6206 7.8906 116.1447 55.8803 31.5858 176.5253 18 S 4.3502 7.7397 114.9944 58.4225 63.6181 174.2867 19 E 4.2258 9.0250 123.1938 59.0723 30.3171 176.8547 20 E 5.0917 8.6059 117.0987 54.4864 34.7093 174.8169 21 V 4.5222 8.0490 121.8117 61.3039 33.7756 174.4150 22 Q 4.9878 8.9654 126.7713 54.0993 31.8687 174.3797 23 I 5.6316 8.7904 125.1121 59.9913 39.4616 174.1818 24 Y 5.1389 8.9363 124.4492 56.1308 40.6567 174.6883 25 E 4.9469 9.2989 124.1226 54.9072 32.5369 174.4979 26 T 5.5847 8.7468 118.5305 59.4575 70.9367 172.8633 27 D 4.7863 8.7363 124.3750 53.1620 39.8024 176.9488 28 G 4.2526 9.0486 109.7175 45.9702 0.0000 174.9444 29 G 3.9759 8.1162 104.9201 47.1003 0.0000 172.7760 30 N 4.6683 8.7213 119.3368 52.5887 39.7779 174.4733 31 V 4.9542 8.2741 121.4444 61.1836 35.0182 174.4821 32 R 4.7348 9.1981 126.6876 54.2646 33.6874 173.7322 33 L 4.0441 8.7839 128.6022 55.1187 41.8895 176.0423 34 I 4.3483 8.3493 120.4580 61.4951 39.4240 175.4169 35 E 4.9315 7.7604 122.0629 55.2244 32.7859 173.8058 36 K 5.1805 8.5657 123.6103 56.1788 35.6916 174.3481 37 Y 4.9120 8.2822 118.6091 55.6568 41.7203 173.7389 38 S 4.5116 8.7948 115.7994 58.4759 63.5010 173.1896 39 N 4.4045 8.9907 126.3529 53.1741 39.1612 174.0604 40 P 4.4019 0.0000 0.0000 65.2580 31.4413 178.1204 41 A 4.0686 8.5310 120.1447 55.4365 17.9495 179.5883 42 L 4.0470 7.8815 116.1979 57.3593 41.7254 178.5572 43 N 4.5649 8.0188 114.5347 53.1262 39.2857 175.3578 44 A 4.0784 7.1276 123.8045 51.9693 19.2355 177.8369 45 T 4.0070 8.3106 118.1516 65.6264 68.9650 174.8477 46 A 4.6142 7.0205 120.6422 50.6000 22.6155 174.2447 47 A 3.8738 8.5942 118.2768 53.1116 16.3262 180.4064 48 R 3.9899 8.4571 120.3551 60.7505 30.6412 179.0465 49 G 3.8003 8.2786 105.3392 48.6851 0.0000 174.5865 50 V 3.5179 8.0466 120.1473 65.6703 31.7988 178.4280 51 F 4.1415 8.2243 118.8884 57.4062 38.3723 177.5011 *53 L 4.3511 8.0576 122.1285 54.7809 43.7058 179.5090 54 K 4.0839 8.1327 119.5695 59.3536 31.9435 178.8317 55 S 4.1521 8.1166 113.1135 61.3359 62.4077 175.8120 56 A 4.1330 8.1875 122.9918 55.2179 18.0569 179.1173 57 L 3.9106 8.2023 118.6203 58.6173 42.0059 178.7682 58 D 4.4264 8.2722 117.6933 57.5541 40.7972 177.7498 59 H 4.6900 8.0780 113.8939 55.1440 28.8818 176.0364 60 G 3.8680 8.1048 108.3539 45.7046 0.0000 174.2790 61 A 4.1807 7.7922 121.9320 52.4768 18.7789 177.8939 62 N 4.8923 8.5174 116.3622 53.8095 40.2924 174.8398 63 A 4.9105 7.6532 118.8374 50.5769 23.1506 174.7990 64 L 5.3542 9.1281 119.3663 52.9973 45.5399 176.0963 65 V 5.0615 8.9841 121.9804 61.4105 34.1357 174.3542 66 L 5.4367 8.9335 127.0976 53.3226 46.1566 177.3160 67 S 5.1545 9.0057 114.5783 58.7878 63.8091 173.5975 68 E 4.8817 7.9093 116.1225 56.3568 31.8012 175.0629 69 I 4.4291 8.2886 119.5897 60.1076 42.1421 174.5162 70 G 4.2725 8.5421 116.3650 45.5571 0.0000 174.5809 71 S 4.2559 8.6811 112.9869 60.9531 62.3826 174.0580 72 P 4.4170 0.0000 0.0000 65.6244 31.1989 178.8370 73 G 3.6823 8.1108 103.9728 47.7560 0.0000 175.3199 74 F 4.1555 8.6685 123.6627 61.2003 39.2144 177.0005 75 N 4.3133 8.5067 115.3155 56.0631 38.3393 176.8856 76 F 4.1888 8.2177 121.4651 60.9810 39.9019 176.2979 77 I 3.9008 7.6489 116.9319 61.5288 38.0945 177.3999 78 K 3.5682 7.4630 118.6268 59.6230 32.1683 177.3854 79 N 4.5842 7.7798 113.6097 53.1536 38.6830 175.2854 80 K 4.2078 7.9869 117.4404 56.6233 33.8311 175.9349 *82 D 4.3689 7.6642 118.3381 53.9487 42.9044 174.3453 83 V 4.7105 8.0082 120.6992 61.3917 34.5158 173.5777 84 Y 4.9537 9.2317 126.3201 56.4719 39.9566 174.7398 85 I 4.9241 8.4768 125.9297 60.3677 38.5734 175.7965 86 V 4.6389 8.7153 119.6853 58.4607 35.8964 173.8109 87 P 4.4796 0.0000 0.0000 62.6590 31.6823 176.7193 88 E 4.7472 8.2975 119.0461 55.2696 28.8468 175.4236 *90 P 4.8413 0.0000 0.0000 61.8458 33.7887 177.4700 91 V 3.4276 8.2142 121.0995 66.2448 31.5334 178.3195 92 A 3.7445 7.7840 119.7881 55.1949 18.1357 179.1596 93 D 4.2186 7.9566 116.7133 57.2727 40.9255 178.7491 94 A 3.8703 7.8723 121.3189 55.1950 18.3471 179.7733 95 L 3.4819 7.8115 117.6094 57.2657 41.5418 179.6835 96 K 3.7170 7.8050 119.7529 59.4307 32.1521 178.8328 97 L 3.8954 7.4797 118.9491 57.7319 41.5189 179.5854 98 I 3.4193 7.4734 119.5614 64.3955 36.8097 178.6433 99 L 2.9900 7.4206 118.1201 56.6021 41.3421 178.3237 100 E 4.5075 7.6528 116.8288 55.6616 29.5445 176.7063 101 G 4.0095 7.8460 106.8042 46.2831 0.0000 174.7435 102 K 4.2719 8.0517 116.8336 56.0646 32.3370 177.0327 103 V 4.3477 7.4251 118.6213 60.8094 33.2315 174.8587 104 S 4.5930 8.6418 122.2450 56.9880 63.9275 172.4450 105 P 3.9855 0.0000 0.0000 62.6324 31.6247 176.2524 106 A 4.1506 8.7660 125.8013 52.6063 18.7298 177.7491 107 T 4.6429 8.2599 109.9382 61.3605 69.7921 173.7860 108 A 3.8306 6.7342 123.1976 50.0398 21.9247 174.3319 109 P 4.1936 0.0000 0.0000 62.5821 32.0779 176.8533 110 T 4.1382 8.2288 109.9709 63.4481 69.6522 174.7585 111 H 4.9095 7.6352 116.5925 53.7148 31.5752 171.9159 112 D 4.7871 8.3610 120.5056 53.8097 43.3492 174.2979 113 H 4.9405 8.8470 123.2516 55.4393 30.0099 173.9973 114 G 3.7778 8.9176 115.2303 45.9248 0.0000 174.2490 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 Y 8.14 4.40 0.00 2.35 2.28 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 -2 F 8.00 4.55 0.00 3.20 3.21 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 -1 Q 7.55 4.21 0.00 2.33 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.17 0.00 0.00 0.00 0.00 0.00 2.34 1.90 0.00 0 G 9.02 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 0.00 0.00 0.00 -1 K 7.52 4.19 0.00 2.05 1.82 0.00 0.95 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.42 0.98 7.81 0 F 8.99 4.19 0.00 3.09 3.13 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 4 A 9.19 5.04 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 5 V 9.09 4.84 2.24 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 1.05 0.00 0.00 1.06 0.00 0.00 6 A 8.55 4.81 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 7 V 8.83 4.92 2.08 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 0.99 0.00 0.00 0.98 0.00 0.00 8 S 8.74 4.84 0.00 3.94 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 9 G 8.96 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 0.00 0.00 0.00 10 D 8.17 4.44 0.00 2.92 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 11 R 7.72 4.85 0.00 1.92 1.76 0.00 3.33 0.00 0.00 3.14 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 12 V 8.16 4.23 2.08 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 0.99 0.00 0.00 0.90 0.00 0.00 13 N 9.13 5.43 0.00 2.65 2.70 0.00 0.00 6.47 8.08 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 14 G 8.57 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 0.00 0.00 0.00 0.00 15 P 0.00 4.41 0.00 2.24 2.25 0.00 3.82 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 2.04 2.03 0.00 16 G 8.07 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 17 E 7.89 4.62 0.00 1.93 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 2.20 2.23 0.00 18 S 7.74 4.35 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 19 E 9.03 4.23 0.00 2.05 1.98 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 2.33 2.29 0.00 20 E 8.61 5.09 0.00 1.80 1.65 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 2.18 2.20 0.00 21 V 8.05 4.52 0.67 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 0.80 0.00 0.00 0.72 0.00 0.00 22 Q 8.97 4.99 0.00 2.16 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.27 0.00 23 I 8.79 5.63 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.26 1.00 0.00 0.00 24 Y 8.94 5.14 0.00 2.90 2.91 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 0.00 0.00 0.00 25 E 9.30 4.95 0.00 2.08 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 2.27 2.29 0.00 26 T 8.75 5.58 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 1.54 0.00 0.00 27 D 8.74 4.79 0.00 2.83 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 28 G 9.05 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 0.00 0.00 0.00 29 G 8.12 3.98 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 0.00 0.00 0.00 30 N 8.72 4.67 0.00 2.91 2.76 0.00 0.00 6.49 7.23 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 31 V 8.27 4.95 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 0.80 0.00 0.00 0.81 0.00 0.00 32 R 9.20 4.73 0.00 1.90 1.75 0.00 3.16 0.00 0.00 3.12 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 33 L 8.78 4.04 0.00 1.39 1.48 0.26 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.35 4.35 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.81 0.93 0.00 0.00 35 E 7.76 4.93 0.00 2.08 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 2.46 2.36 0.00 36 K 8.57 5.18 0.00 1.73 1.61 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.76 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.44 7.81 37 Y 8.28 4.91 0.00 3.03 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 38 S 8.79 4.51 0.00 3.95 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 39 N 8.99 4.40 0.00 2.85 2.75 0.00 0.00 6.99 8.52 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 40 P 0.00 4.40 0.00 2.33 2.20 0.00 3.82 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 41 A 8.53 4.07 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 42 L 7.88 4.05 0.00 1.66 1.75 0.93 1.13 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 43 N 8.02 4.56 0.00 2.80 2.84 0.00 0.00 6.96 6.94 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 44 A 7.13 4.08 1.10 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 0.00 0.00 0.00 0.00 0.00 45 T 8.31 4.01 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 1.17 0.00 0.00 46 A 7.02 4.61 1.15 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 0.00 0.00 47 A 8.59 3.87 1.52 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 0.00 0.00 48 R 8.46 3.99 0.00 1.84 2.16 0.00 3.20 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.61 0.00 49 G 8.28 3.80 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 0.00 0.00 0.00 50 V 8.05 3.52 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 0.35 0.00 0.00 0.91 0.00 0.00 51 F 8.22 4.14 0.00 3.16 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 *53 L 8.06 4.35 0.00 1.83 1.96 1.04 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.13 4.08 0.00 1.25 1.64 0.00 1.64 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.18 1.43 7.81 55 S 8.12 4.15 0.00 4.18 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.19 4.13 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 57 L 8.20 3.91 0.00 2.01 1.99 0.88 1.15 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 58 D 8.27 4.43 0.00 2.97 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.08 4.69 0.00 3.33 3.42 0.00 5.73 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 8.10 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 0.00 0.00 0.00 61 A 7.79 4.18 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 62 N 8.52 4.89 0.00 2.44 2.80 0.00 0.00 6.69 7.35 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 63 A 7.65 4.91 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 64 L 9.13 5.35 0.00 1.67 1.66 1.00 1.18 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 65 V 8.98 5.06 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 0.98 0.00 0.00 1.10 0.00 0.00 66 L 8.93 5.44 0.00 1.66 1.63 1.04 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 67 S 9.01 5.15 0.00 3.90 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 68 E 7.91 4.88 0.00 2.03 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 2.12 2.27 0.00 69 I 8.29 4.43 1.95 0.00 0.00 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 1.28 1.19 0.97 0.00 0.00 70 G 8.54 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 0.00 0.00 0.00 0.00 71 S 8.68 4.26 0.00 3.91 3.91 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 0.00 0.00 0.00 72 P 0.00 4.42 0.00 2.25 2.14 0.00 3.71 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 73 G 8.11 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 74 F 8.67 4.16 0.00 3.20 3.11 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 0.00 75 N 8.51 4.31 0.00 2.98 2.91 0.00 0.00 7.03 7.31 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 76 F 8.22 4.19 0.00 3.07 3.30 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 0.00 77 I 7.65 3.90 2.02 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 1.61 0.63 0.93 0.00 0.00 78 K 7.46 3.57 0.00 1.25 0.74 0.00 1.44 0.00 0.00 1.31 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.15 1.15 7.81 79 N 7.78 4.58 0.00 2.59 2.78 0.00 0.00 6.76 7.61 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 80 K 7.99 4.21 0.00 1.59 1.69 0.00 1.29 0.00 0.00 1.45 0.00 0.00 2.55 0.00 0.00 2.28 0.00 0.00 0.00 0.00 1.18 1.10 7.81 *82 D 7.66 4.37 0.00 2.59 2.24 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 0.00 83 V 8.01 4.71 2.19 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 1.00 0.00 0.00 0.99 0.00 0.00 84 Y 9.23 4.95 0.00 3.14 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 85 I 8.48 4.92 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.79 0.94 0.00 0.00 86 V 8.72 4.64 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 0.92 0.00 0.00 0.99 0.00 0.00 87 P 0.00 4.48 0.00 2.02 1.99 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.12 0.00 88 E 8.30 4.75 0.00 1.96 1.94 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 2.45 2.29 0.00 *90 P 0.00 4.84 0.00 2.27 1.97 0.00 3.85 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 91 V 8.21 3.43 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 0.78 0.00 0.00 0.99 0.00 0.00 92 A 7.78 3.74 1.22 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 0.00 0.00 93 D 7.96 4.22 0.00 2.77 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 94 A 7.87 3.87 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 95 L 7.81 3.48 0.00 1.46 1.24 0.10 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.80 3.72 0.00 1.79 1.84 0.00 1.56 0.00 0.00 1.58 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.38 7.81 97 L 7.48 3.90 0.00 1.74 1.63 0.87 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 98 I 7.47 3.42 1.36 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.60 -0.22 0.00 0.00 99 L 7.42 2.99 0.00 1.34 1.47 0.64 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 100 E 7.65 4.51 0.00 1.98 1.94 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 2.26 2.32 0.00 101 G 7.85 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 0.00 102 K 8.05 4.27 0.00 1.83 1.85 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.49 7.81 103 V 7.43 4.35 2.19 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 1.10 0.00 0.00 0.93 0.00 0.00 104 S 8.64 4.59 0.00 4.08 3.92 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 0.00 105 P 0.00 3.99 0.00 1.98 1.75 0.00 3.74 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 2.02 1.98 0.00 106 A 8.77 4.15 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 0.00 107 T 8.26 4.64 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 1.24 0.00 0.00 108 A 6.73 3.83 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 P 0.00 4.19 0.00 2.27 2.05 0.00 3.45 0.00 0.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 110 T 8.23 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 1.18 0.00 0.00 111 H 7.64 4.91 0.00 3.29 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 D 8.36 4.79 0.00 2.54 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 0.00 113 H 8.85 4.94 0.00 3.18 3.25 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.92 3.78 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.