NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 4.0174 8.2133 108.0303 45.9987 0.0000 171.9994 3 I 4.2765 8.2446 120.7323 60.6395 37.1535 171.4344 4 V 3.8084 9.1768 128.2782 65.2337 32.5995 175.4752 5 G 4.5634 7.7182 104.8086 46.4372 0.0000 172.1029 6 V 5.1273 7.9603 118.2161 59.9295 35.1436 174.7972 7 G 4.2713 9.1176 108.5064 44.8843 0.0000 171.1094 8 I 5.2985 8.1618 119.8301 59.4473 41.9603 173.7491 9 D 4.7850 8.7846 124.7924 53.0523 44.9785 173.7011 10 L 5.2114 8.5974 124.9689 53.0969 44.2036 175.9246 11 V 4.4807 8.6505 122.4442 60.9193 35.0032 174.5594 12 S 4.6931 8.8041 122.6892 58.0710 62.9001 174.3497 13 I 3.7739 9.0598 130.2406 64.2483 36.9458 176.8136 14 P 4.3175 0.0000 0.0000 65.6628 31.2310 178.4905 15 D 4.3773 7.9375 117.4730 57.1619 40.6762 178.5453 16 F 3.8769 8.7729 121.5138 61.0598 39.3853 176.8875 17 A 3.9572 8.5024 120.8713 55.3089 17.9549 179.2893 18 E 3.8194 7.9248 116.4303 59.4552 29.7792 178.6819 19 Q 3.9600 7.7169 117.1450 58.9010 28.8287 178.7700 20 V 3.5378 7.0696 111.5691 61.9490 31.6788 175.7166 21 D 4.6966 7.4758 121.3171 55.0376 38.4454 177.5374 *30 T 4.3102 7.8499 107.2945 60.7697 70.6790 173.0572 31 F 5.2359 8.0035 120.6857 55.8425 41.5158 175.9344 32 T 4.3739 8.9203 115.3072 60.5968 71.0083 174.1863 33 P 4.3740 0.0000 0.0000 65.6772 31.2407 179.0510 34 G 3.6743 8.1271 103.8998 47.9459 0.0000 175.1848 35 E 4.0460 8.2244 121.5528 59.2116 29.3508 179.7972 36 R 3.8416 8.1585 116.8509 59.0862 30.2751 178.6956 37 R 4.0271 8.5627 118.7491 59.7815 29.8771 178.1977 38 D 4.3373 8.2251 117.1646 57.4734 41.1794 178.5646 39 A 4.1999 8.3895 121.4648 52.8841 18.1476 177.0527 40 S 4.6519 7.2539 112.7179 56.8245 63.0049 174.4039 *45 S 4.3361 8.5449 118.6741 57.4814 64.5139 175.3661 46 A 4.8547 8.2128 126.1868 54.8722 17.9547 179.9235 47 A 3.9893 8.0227 119.0693 55.4072 18.4718 179.2146 48 R 3.7377 7.2764 114.7190 60.3104 30.0769 178.3058 49 H 4.2383 7.9008 114.9193 58.7923 28.8711 177.7065 50 L 3.7808 8.2788 121.0057 57.5443 41.3188 179.3009 51 A 2.8693 8.2250 120.9095 54.9343 18.2835 179.6357 52 A 3.9691 7.9859 119.1340 55.2123 18.3896 180.1477 53 R 3.9942 8.1051 116.7271 58.9623 30.1062 178.8875 54 W 4.1245 8.9626 128.4590 60.5471 30.6237 177.7467 55 A 4.6024 8.6899 122.0758 54.6155 17.7937 179.5126 56 A 3.8921 8.1398 119.1204 55.1651 18.4427 179.9092 57 K 3.7516 7.9990 117.0087 59.7384 32.0504 179.3753 58 E 3.7274 7.8991 118.5088 59.2221 29.2502 179.3389 59 A 3.9417 8.2388 121.1713 55.0352 18.4075 179.8690 60 V 3.5176 7.8009 116.7078 66.1880 31.5729 178.2246 61 I 3.7665 7.8160 119.5894 64.4939 36.8755 178.6027 62 K 3.9795 8.3177 119.1424 59.3151 31.9835 179.3146 63 A 4.2497 8.1865 122.5351 54.3080 18.3330 179.5507 64 W 4.1617 8.4012 126.8836 60.7907 30.8864 178.1956 65 S 3.6211 8.5488 113.6392 61.2058 61.5560 176.1216 66 G 3.8764 8.0712 107.8478 47.9111 0.0000 175.0030 67 S 4.3938 7.8061 113.6470 59.2770 63.6028 174.6977 68 R 4.5589 7.8968 123.3186 55.0068 30.6113 175.5964 69 F 3.9437 8.3091 118.9039 60.0541 39.5968 174.5939 70 A 3.4299 7.9088 128.1060 52.5024 16.2066 176.8536 71 Q 4.5705 7.5774 115.4172 53.9002 30.8290 175.8233 72 R 3.8788 8.3040 121.4813 55.6667 30.6485 174.7892 73 P 4.2292 0.0000 0.0000 63.3940 31.8327 175.5531 74 M 4.5754 8.1307 118.2613 55.5250 33.5234 175.7525 *79 I 4.1518 7.6903 119.0096 61.1830 40.1549 177.2934 80 H 3.9866 8.0782 116.9703 58.6651 28.7312 177.5029 81 R 4.1314 7.8309 117.5937 58.6717 30.1848 176.6842 82 D 4.8555 7.9508 115.0567 54.5035 41.0528 175.4800 83 I 4.5408 7.2874 120.5054 59.4844 37.8205 173.6485 84 E 4.7002 9.1062 128.7077 54.2751 31.7245 174.6855 85 V 4.4353 9.3275 128.1807 62.2901 32.0700 175.1881 86 V 4.4563 9.2439 129.6386 61.7601 33.3254 174.6130 87 T 5.8261 8.6487 116.6511 59.3419 71.5612 174.0335 88 D 4.8223 8.3985 122.8529 52.6770 41.8321 176.4730 89 M 3.9046 8.5042 117.3096 57.6067 31.8393 177.1771 90 W 4.4757 8.5295 116.7403 56.1046 29.6187 176.8718 91 G 3.9840 8.3156 106.7142 45.5171 0.0000 174.1008 92 R 4.2880 8.5917 120.2058 55.3955 31.0379 174.2932 93 P 5.1307 0.0000 0.0000 62.5234 32.9538 175.4027 94 R 4.6652 8.9494 121.8318 54.9954 33.9679 173.7494 95 V 4.5018 8.4094 125.9348 62.2095 32.8456 174.7911 96 R 4.6344 9.1670 128.1288 54.5518 32.6037 174.1839 97 L 5.2609 8.5508 126.0748 53.7818 44.0390 175.4673 98 T 4.4740 8.3174 111.7179 60.5912 72.5278 173.8015 99 G 3.9353 8.5781 107.6268 46.2119 0.0000 174.7702 100 A 4.0445 8.5872 119.7490 55.2091 18.6113 179.8931 101 I 3.5826 7.8222 110.9171 63.9744 37.2694 178.1770 102 A 3.9502 7.4701 121.4818 54.7497 18.5226 179.2906 103 E 3.9099 7.9502 116.7673 59.9138 29.4774 178.7967 104 Y 4.1047 7.4689 115.2235 60.3164 38.1188 178.0438 105 L 4.5617 7.6240 118.3282 54.0495 42.6304 178.3723 106 A 3.9021 7.3986 124.1749 55.4752 18.2073 179.4612 107 D 4.6921 7.9446 111.1420 54.1853 41.4108 176.1524 108 V 4.3146 7.5417 120.6693 62.1889 32.6940 175.3463 109 T 4.4237 8.9360 125.2339 62.6559 70.1266 173.6231 110 I 4.8613 8.2369 126.5770 59.8415 39.5157 174.5162 111 H 5.0276 9.2480 124.3520 54.1539 31.2257 173.9007 112 V 5.0829 8.3216 114.6804 60.0007 36.0601 174.6430 113 S 4.7241 8.8783 115.6201 57.0652 66.0351 172.7725 114 L 5.3526 8.4363 124.5705 53.5194 45.2518 175.5501 115 T 4.7271 8.6825 114.9385 61.1937 71.4448 172.2458 116 H 5.3556 8.3593 121.5514 54.2199 31.7220 172.3397 117 E 4.5430 9.2519 123.9934 55.1408 33.1472 174.6780 118 G 3.7411 8.4197 116.1292 47.2942 0.0000 173.6921 119 D 4.7063 8.6805 124.7037 53.4725 39.7276 175.1998 120 T 5.1366 8.0249 117.0865 62.0508 71.9835 172.8798 121 A 5.2584 9.1377 127.8927 50.5365 22.1389 175.2549 122 A 5.2574 9.1702 120.3673 50.8935 23.6715 174.9783 123 A 5.1923 8.6903 119.3631 50.7413 23.3422 175.8691 124 V 4.9610 8.6970 118.3847 59.9159 35.1593 174.5117 125 A 5.3066 8.9698 123.2059 50.4145 23.0098 174.9660 126 I 4.9182 8.9743 121.3277 59.5559 41.1231 174.4379 127 L 5.1733 8.8337 127.0225 53.2020 44.0639 175.2420 128 E 5.0909 9.2066 123.2263 54.7292 33.1503 174.1795 129 A 4.7916 8.6991 128.3418 49.8992 22.5521 174.3107 130 P 4.4487 0.0000 0.0000 62.9118 31.8230 175.2728 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 8.21 4.02 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 0.00 0.00 0.00 3 I 8.24 4.28 1.88 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 1.24 0.70 0.99 0.00 0.00 4 V 9.18 3.81 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 0.86 0.00 0.00 1.00 0.00 0.00 5 G 7.72 4.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 7.96 5.13 2.09 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 0.81 0.00 0.00 0.99 0.00 0.00 7 G 9.12 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 8 I 8.16 5.30 1.88 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 1.24 1.15 0.92 0.00 0.00 9 D 8.78 4.79 0.00 2.83 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.60 5.21 0.00 1.59 1.59 0.94 0.85 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 11 V 8.65 4.48 2.09 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 0.98 0.00 0.00 1.14 0.00 0.00 12 S 8.80 4.69 0.00 3.94 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 13 I 9.06 3.77 1.97 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 1.52 0.49 0.93 0.00 0.00 14 P 0.00 4.32 0.00 2.17 2.10 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 15 D 7.94 4.38 0.00 2.73 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 16 F 8.77 3.88 0.00 3.23 3.23 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 0.00 0.00 0.00 0.00 17 A 8.50 3.96 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 18 E 7.92 3.82 0.00 1.95 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 2.26 2.30 0.00 19 Q 7.72 3.96 0.00 1.80 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.39 0.00 20 V 7.07 3.54 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 -0.06 0.00 0.00 0.82 0.00 0.00 21 D 7.48 4.70 0.00 2.68 2.97 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 *30 T 7.85 4.31 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 1.31 0.00 0.00 31 F 8.00 5.24 0.00 3.15 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 32 T 8.92 4.37 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 1.26 0.00 0.00 33 P 0.00 4.37 0.00 2.20 2.17 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 34 G 8.13 3.67 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 0.00 35 E 8.22 4.05 0.00 2.41 2.22 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 2.57 2.48 0.00 36 R 8.16 3.84 0.00 1.88 2.00 0.00 3.29 0.00 0.00 3.46 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 37 R 8.56 4.03 0.00 1.84 2.20 0.00 3.09 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 38 D 8.23 4.34 0.00 2.82 2.72 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 39 A 8.39 4.20 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 40 S 7.25 4.65 0.00 3.91 3.85 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 *45 S 8.54 4.34 0.00 4.08 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 46 A 8.21 4.85 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 47 A 8.02 3.99 1.38 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 48 R 7.28 3.74 0.00 1.72 1.94 0.00 2.83 0.00 0.00 2.81 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 1.34 0.00 49 H 7.90 4.24 0.00 3.40 3.34 0.00 5.87 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 50 L 8.28 3.78 0.00 1.70 1.58 0.74 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 51 A 8.23 2.87 1.17 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 0.00 0.00 52 A 7.99 3.97 1.42 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 53 R 8.11 3.99 0.00 2.33 2.33 0.00 3.35 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.73 0.00 54 W 8.96 4.12 0.00 3.41 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 55 A 8.69 4.60 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 56 A 8.14 3.89 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 57 K 8.00 3.75 0.00 1.55 1.59 0.00 1.47 0.00 0.00 1.52 0.00 0.00 3.09 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.53 1.55 7.81 58 E 7.90 3.73 0.00 2.03 1.88 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 1.47 2.18 0.00 59 A 8.24 3.94 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 60 V 7.80 3.52 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 0.99 0.00 0.00 0.92 0.00 0.00 61 I 7.82 3.77 1.93 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.49 0.90 0.00 0.00 62 K 8.32 3.98 0.00 2.00 1.86 0.00 1.81 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.59 7.81 63 A 8.19 4.25 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.40 4.16 0.00 3.36 3.24 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 65 S 8.55 3.62 0.00 3.88 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 66 G 8.07 3.88 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 0.00 0.00 0.00 67 S 7.81 4.39 0.00 4.03 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 R 7.90 4.56 0.00 1.54 1.76 0.00 2.21 0.00 0.00 2.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.85 0.00 69 F 8.31 3.94 0.00 2.88 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 70 A 7.91 3.43 1.26 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 0.00 0.00 71 Q 7.58 4.57 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.21 0.00 72 R 8.30 3.88 0.00 1.72 1.81 0.00 3.23 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 73 P 0.00 4.23 0.00 2.03 1.90 0.00 3.61 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 74 M 8.13 4.58 0.00 1.95 1.92 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 *79 I 7.69 4.15 1.82 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 1.28 1.11 0.74 0.00 0.00 80 H 8.08 3.99 0.00 3.21 3.17 0.00 5.68 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.83 4.13 0.00 1.78 1.97 0.00 3.09 0.00 0.00 3.91 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 82 D 7.95 4.86 0.00 2.89 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 83 I 7.29 4.54 1.77 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 1.19 0.70 0.84 0.00 0.00 84 E 9.11 4.70 0.00 2.03 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 2.26 2.29 0.00 85 V 9.33 4.44 2.16 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 0.81 0.00 0.00 0.97 0.00 0.00 86 V 9.24 4.46 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 1.03 0.00 0.00 0.95 0.00 0.00 87 T 8.65 5.83 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 1.25 0.00 0.00 88 D 8.40 4.82 0.00 3.14 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 89 M 8.50 3.90 0.00 1.24 0.95 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 90 W 8.53 4.48 0.00 3.57 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 91 G 8.32 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 92 R 8.59 4.29 0.00 2.03 1.92 0.00 3.36 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.86 0.00 93 P 0.00 5.13 0.00 2.10 2.07 0.00 3.78 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 94 R 8.95 4.67 0.00 1.87 1.76 0.00 3.08 0.00 0.00 3.11 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 95 V 8.41 4.50 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 0.92 0.00 0.00 96 R 9.17 4.63 0.00 1.84 1.72 0.00 3.34 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 97 L 8.55 5.26 0.00 1.50 1.49 0.80 0.81 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 98 T 8.32 4.47 4.23 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 0.00 0.00 0.00 1.20 0.00 0.00 99 G 8.58 3.94 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 0.00 0.00 0.00 100 A 8.59 4.04 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 0.00 101 I 7.82 3.58 1.61 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.54 0.61 0.00 0.00 102 A 7.47 3.95 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 0.00 103 E 7.95 3.91 0.00 1.88 1.70 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 2.29 2.48 0.00 104 Y 7.47 4.10 0.00 2.38 2.64 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 0.00 105 L 7.62 4.56 0.00 1.58 1.50 0.63 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 106 A 7.40 3.90 1.29 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 0.00 0.00 0.00 0.00 0.00 0.00 107 D 7.94 4.69 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 0.00 108 V 7.54 4.31 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 0.82 0.00 0.00 0.98 0.00 0.00 109 T 8.94 4.42 4.23 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 0.00 0.00 0.00 1.05 0.00 0.00 110 I 8.24 4.86 1.83 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 1.32 0.54 0.89 0.00 0.00 111 H 9.25 5.03 0.00 3.09 3.18 0.00 5.75 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 0.00 112 V 8.32 5.08 2.09 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 0.68 0.00 0.00 0.94 0.00 0.00 113 S 8.88 4.72 0.00 3.87 3.63 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 0.00 114 L 8.44 5.35 0.00 1.49 1.48 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 115 T 8.68 4.73 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 1.20 0.00 0.00 116 H 8.36 5.36 0.00 3.05 3.20 0.00 5.72 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 9.25 4.54 0.00 1.99 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 2.20 2.29 0.00 118 G 8.42 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 D 8.68 4.71 0.00 2.93 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 0.00 120 T 8.02 5.14 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 1.23 0.00 0.00 121 A 9.14 5.26 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 0.00 122 A 9.17 5.26 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 0.00 123 A 8.69 5.19 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 0.00 124 V 8.70 4.96 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 0.75 0.00 0.00 0.96 0.00 0.00 125 A 8.97 5.31 1.23 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 0.00 0.00 0.00 0.00 0.00 0.00 126 I 8.97 4.92 1.92 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.81 0.94 0.00 0.00 127 L 8.83 5.17 0.00 1.71 1.64 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 128 E 9.21 5.09 0.00 2.06 1.80 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 2.23 2.27 0.00 129 A 8.70 4.79 1.25 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 0.00 130 P 0.00 4.45 0.00 2.04 1.94 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 * Residues marked with a * may have inaccurate shift predictions.