NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.6279 8.2233 120.1957 53.7374 42.6955 176.1897 3 D 4.3124 8.5241 122.7116 56.4848 40.6392 177.6467 4 R 3.9144 8.2793 119.2169 59.1830 30.5759 177.6226 5 L 3.9381 7.9724 119.7329 58.2498 41.8382 178.5833 6 F 4.1798 8.1030 119.0506 61.4827 39.4273 177.0235 7 R 3.9321 7.9889 116.4332 59.1006 29.9203 178.3586 8 N 4.3944 8.3630 115.5417 56.2408 38.7596 177.6136 9 A 3.9754 7.9742 118.6419 53.3170 18.4972 179.1173 *11 G 3.6454 8.0411 109.5617 46.3724 0.0000 175.2072 12 K 3.9644 8.0654 118.1356 57.3232 32.2209 176.6334 13 F 4.6881 7.9500 121.6175 56.2484 39.1762 174.8719 14 A 4.7048 8.0769 130.3569 52.4228 19.1468 176.1263 15 T 4.5516 8.7326 109.3541 60.0099 73.0135 174.2357 16 G 4.1685 8.5634 109.6648 45.2194 0.0000 172.4227 17 V 4.7893 8.3504 118.2112 61.2471 35.0752 174.9385 18 T 5.1669 8.8491 116.6593 59.8321 72.7632 172.5349 19 V 4.5429 8.5158 121.7191 61.0497 34.2936 174.2203 20 I 4.7068 8.2005 128.8289 60.7342 38.6429 174.9121 21 T 5.0585 8.7593 116.9882 60.5602 72.3811 172.5762 22 T 4.7405 8.3762 116.0467 61.4202 71.8253 171.3790 23 E 5.0617 8.5505 123.7494 54.2553 32.0862 174.4846 24 L 4.7393 8.4935 127.3142 54.1806 45.4989 175.3147 25 N 4.2473 9.6223 117.5550 54.1660 36.0328 174.7841 26 G 3.9153 8.5211 102.6225 46.1885 0.0000 173.9766 27 A 4.5570 8.1589 121.4843 49.8370 22.1580 175.9263 28 V 4.4906 8.0496 121.3534 61.8518 32.8309 174.8012 29 H 5.0133 9.1162 124.9308 54.1825 32.1845 173.3467 30 G 4.5709 8.4354 107.6070 44.7239 0.0000 171.2483 *32 T 4.3728 8.3893 114.8122 63.3444 69.6492 173.6400 33 A 4.7542 8.7697 128.4108 50.4619 22.1114 175.8027 34 N 5.0040 8.7982 116.5764 52.5560 39.0532 175.5248 35 A 4.4365 7.7283 124.2324 50.9174 17.1691 175.3150 36 F 5.4984 7.6269 122.4450 54.5634 43.5426 173.4766 *38 S 4.0126 8.2746 115.8110 58.1404 62.8631 171.8976 39 V 4.1676 8.3692 125.0594 63.7952 33.2271 175.4534 40 S 4.6751 7.4717 112.9016 56.4212 65.6874 174.0224 41 L 4.0181 8.6609 127.7904 56.7388 42.4038 176.3931 42 N 4.8223 7.8139 117.0027 50.5454 40.1775 172.4024 43 P 4.4858 0.0000 0.0000 61.5676 32.7647 176.3782 44 K 4.4370 8.3732 117.4917 56.4000 32.2585 176.2690 45 L 5.5255 8.9686 125.5264 52.8085 45.8965 176.2629 46 V 4.8686 8.8341 120.0925 60.2049 35.4457 173.7862 47 L 5.4934 8.2639 122.1476 53.4986 45.7276 175.2121 48 V 4.8376 8.8961 123.9892 59.9672 35.2742 174.0956 49 S 5.1878 8.7844 116.7864 56.7166 64.5944 173.1625 50 I 4.6604 8.9355 128.1376 59.0931 40.4083 175.4734 51 G 3.6664 8.6500 114.1019 45.7924 0.0000 174.3019 52 E 4.0160 8.8003 121.9665 58.9591 29.5288 178.2331 53 K 4.2239 7.8847 115.4104 56.2256 32.6081 176.2848 54 A 4.3147 7.8325 123.7577 51.2489 18.6973 179.0001 55 K 3.8441 8.6050 125.9004 56.2675 32.5254 179.0021 *57 L 4.3391 8.0563 120.6816 55.1130 44.1245 178.1404 58 E 4.2684 8.0044 117.7989 58.8772 29.4273 178.8723 59 K 3.8521 7.6597 118.4418 59.3662 32.0962 179.3835 60 I 3.6192 7.4437 119.3706 64.2799 37.1232 178.0633 61 Q 4.1784 8.0658 118.9193 59.2410 28.3128 179.4465 62 Q 4.0881 7.9861 118.0309 59.0787 29.0521 178.5539 63 S 4.2152 8.0126 113.5469 59.0678 63.2528 174.7406 64 K 4.0140 8.5799 120.6530 56.6130 30.0827 174.3764 65 K 5.1352 7.6648 116.4256 56.1103 35.9208 174.6108 66 Y 5.0412 8.1931 116.9062 56.2103 41.5282 173.1270 67 A 5.1444 9.2897 122.7340 50.2696 22.7544 175.3738 68 V 4.3559 8.9474 120.4364 61.2184 33.9042 174.3481 69 N 5.1645 9.0189 126.3566 51.4876 40.6695 173.9134 70 I 4.3329 8.4584 126.5193 60.8461 38.5640 175.6241 71 L 4.9698 8.8078 128.0640 54.0012 43.2917 176.8981 72 S 4.7661 9.1859 118.1293 57.4291 64.3820 174.8131 73 Q 3.9163 8.6375 122.2951 59.4724 28.6925 177.7040 74 D 4.7450 7.8863 114.8973 54.4870 41.1079 176.4566 75 Q 4.5992 7.9668 118.5404 55.2614 29.7242 177.3734 76 K 3.4141 8.3515 121.7939 59.5920 32.1595 178.0649 77 V 3.6813 7.6080 116.9339 65.7206 31.9566 176.9348 78 L 4.0861 7.9370 119.5237 57.9346 41.3079 179.2593 79 S 4.3205 7.9823 109.2296 59.6670 62.2635 174.9895 *81 N 4.4657 8.1860 117.5783 53.5106 39.9789 175.7198 82 F 4.4816 8.3164 113.1025 58.0317 39.0237 176.0539 83 A 4.4792 7.7301 122.3009 51.3764 19.1540 177.5323 84 G 3.8749 8.0721 103.9218 47.0764 0.0000 174.7768 85 Q 4.5104 8.2430 116.2187 55.0846 29.7840 175.4910 86 L 4.7693 7.4514 118.1125 52.5793 44.0121 176.3449 87 E 4.0376 8.9581 122.7174 58.5172 29.6849 177.2745 88 K 4.5049 7.6200 118.6631 53.4565 34.0079 173.8582 89 P 4.4684 0.0000 0.0000 62.6932 31.9383 176.4612 90 V 3.8979 7.8814 114.9850 60.3491 32.5897 176.3482 91 D 4.4734 8.2772 121.9581 53.4565 40.1087 175.5317 92 V 3.7850 7.9276 126.3662 61.6797 32.7650 175.3856 93 Q 4.2224 8.2297 126.0812 55.4132 29.4032 174.7992 94 F 5.3665 8.6437 123.2608 56.2909 41.3416 175.5872 95 E 4.9190 9.1649 119.4234 55.0173 32.9884 173.7496 96 E 5.1237 8.6803 118.2855 54.9680 32.8681 175.7753 97 L 4.3081 9.1454 125.9826 55.2874 45.4029 175.4337 98 G 4.1269 9.3119 115.2158 45.4263 0.0000 173.9555 99 G 3.8995 8.3840 104.9219 45.1435 0.0000 173.9162 100 L 4.6769 7.5990 120.2408 51.7942 43.7754 173.9014 101 P 4.8628 0.0000 0.0000 63.0903 31.9030 175.8596 102 V 4.7405 9.0279 116.6530 59.4338 36.5348 174.4362 103 I 4.4049 8.9827 123.7059 59.7996 38.3012 175.9430 104 K 4.1699 8.2915 129.0095 57.9845 32.4662 176.3051 105 D 4.4564 8.9298 123.1279 54.5486 38.4399 174.0087 106 A 4.3295 7.5047 121.7572 52.2226 19.1984 177.8480 107 L 4.2001 8.8470 122.8403 57.3469 43.0768 176.9582 108 A 5.1918 7.7556 117.9851 50.6133 23.0557 174.8290 109 Q 4.9114 9.4093 119.0141 54.1711 32.8709 174.7888 110 I 4.9390 8.6192 123.8008 59.8850 41.2023 174.3402 111 S 4.9397 8.9644 124.0866 57.3446 64.9197 173.4260 112 C 5.1804 8.7673 120.7219 58.0535 32.7277 172.7695 113 Q 4.7528 8.4976 120.8123 53.7971 30.7813 175.3244 114 V 4.2198 8.6006 125.2345 63.5996 31.5540 175.9752 115 V 4.4557 8.7999 120.4939 61.4693 33.4839 175.1306 116 N 4.9281 7.8814 117.6785 52.5685 42.5229 172.8483 117 E 4.7556 8.6274 124.1466 54.7654 32.6427 174.3667 118 V 4.3211 8.4004 127.6232 60.8212 34.2312 174.4045 119 Q 4.4578 8.7020 129.4170 56.0245 30.2742 175.7045 120 A 4.4053 9.2021 129.2895 51.1392 21.1946 176.9620 121 G 3.7863 8.3623 114.7395 47.0876 0.0000 174.4053 122 D 4.4949 8.8142 124.0791 56.9108 41.1019 175.3714 123 H 5.3556 8.2006 114.7739 54.4093 33.9310 172.2492 124 T 4.8851 9.0525 116.5591 61.7971 71.8782 173.2304 125 L 4.8666 8.8147 126.1698 53.4875 43.7347 175.5228 126 F 5.1114 9.1274 124.0841 55.9720 40.8437 174.9953 127 I 4.8029 8.7079 126.2775 60.3792 38.6103 175.4644 128 G 4.3705 9.6172 114.2082 44.2731 0.0000 171.1142 129 E 4.9097 8.9997 125.5204 54.7498 31.1988 175.3167 130 V 4.2300 8.5387 128.4268 63.2787 31.5278 175.4675 131 T 4.5028 8.9940 118.4043 62.8266 70.6237 174.6144 132 D 4.9078 7.7528 119.5787 52.7454 45.6910 174.5833 133 I 4.9435 8.2259 121.0297 59.6104 41.4416 174.5948 134 K 4.6643 9.2995 126.8685 54.7929 35.4797 174.9407 135 I 5.0276 8.5246 126.8603 59.7472 40.5301 174.2406 136 T 4.6774 8.6888 114.0683 59.8310 72.7742 173.7558 137 E 4.5111 8.4387 117.6942 56.2596 29.8153 176.7448 138 Q 4.2472 7.8575 117.4628 55.8544 29.6424 175.5611 139 D 4.8313 8.3267 119.2664 53.4460 42.3969 174.1673 140 P 4.9646 0.0000 0.0000 61.8984 32.9851 175.4418 141 L 4.2323 8.5722 124.9409 55.3357 43.2026 175.6324 142 L 5.2813 8.8646 125.8087 53.0011 45.3176 175.0756 143 F 5.4737 9.3410 124.1355 56.5228 42.5024 173.6314 144 F 4.8539 8.8622 127.6360 57.6345 43.2467 174.2017 145 S 3.2579 8.9840 121.8755 59.4124 60.7222 173.6312 146 G 3.6398 7.6142 105.6590 45.2505 0.0000 173.9210 147 K 4.4867 6.9143 118.1188 54.1743 35.8447 174.7685 148 Y 5.1063 8.2440 118.4294 58.4282 38.9869 174.5112 149 H 5.1659 9.7030 119.8364 54.4176 33.9279 171.8720 150 Q 4.9908 8.5021 116.7318 53.8750 32.5628 175.8625 151 L 4.0501 8.5016 120.7970 54.2220 42.3541 177.3117 152 A 4.0332 8.4980 126.0367 52.6740 18.9062 177.5362 153 Q 4.2229 8.5993 120.7251 56.0224 29.0191 175.6761 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 D 8.22 4.63 0.00 2.79 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 3 D 8.52 4.31 0.00 2.87 2.76 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 0.00 0.00 0.00 4 R 8.28 3.91 0.00 1.90 1.93 0.00 3.19 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 5 L 7.97 3.94 0.00 1.82 1.89 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 6 F 8.10 4.18 0.00 3.02 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 7 R 7.99 3.93 0.00 1.96 1.97 0.00 3.31 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.81 0.00 8 N 8.36 4.39 0.00 2.83 2.82 0.00 0.00 7.02 7.27 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 9 A 7.97 3.98 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 *11 G 8.04 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 12 K 8.07 3.96 0.00 1.91 1.97 0.00 1.66 0.00 0.00 1.26 0.00 0.00 2.76 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.67 1.49 7.81 13 F 7.95 4.69 0.00 2.95 3.04 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 14 A 8.08 4.70 1.06 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 0.00 0.00 15 T 8.73 4.55 4.36 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 1.34 0.00 0.00 16 G 8.56 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 0.00 0.00 0.00 17 V 8.35 4.79 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 1.14 0.00 0.00 1.19 0.00 0.00 18 T 8.85 5.17 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 0.94 0.00 0.00 19 V 8.52 4.54 1.82 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 0.14 0.00 0.00 0.88 0.00 0.00 20 I 8.20 4.71 1.76 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 1.31 0.64 0.78 0.00 0.00 21 T 8.76 5.06 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 1.10 0.00 0.00 22 T 8.38 4.74 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 1.17 0.00 0.00 23 E 8.55 5.06 0.00 1.88 1.72 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 2.25 2.17 0.00 24 L 8.49 4.74 0.00 1.70 1.43 0.91 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 25 N 9.62 4.25 0.00 2.92 2.89 0.00 0.00 6.93 7.65 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 26 G 8.52 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 0.00 0.00 0.00 27 A 8.16 4.56 1.19 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 28 V 8.05 4.49 1.59 0.00 0.00 0.00 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 0.52 0.00 0.00 29 H 9.12 5.01 0.00 3.04 3.15 0.00 5.61 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 30 G 8.44 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.39 4.37 4.29 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 1.20 0.00 0.00 33 A 8.77 4.75 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 34 N 8.80 5.00 0.00 3.03 2.91 0.00 0.00 6.06 7.26 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 35 A 7.73 4.44 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 36 F 7.63 5.50 0.00 2.92 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 *38 S 8.27 4.01 0.00 3.85 3.73 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 39 V 8.37 4.17 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 0.89 0.00 0.00 40 S 7.47 4.68 0.00 3.83 3.62 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 0.00 41 L 8.66 4.02 0.00 1.62 1.66 0.93 0.91 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 42 N 7.81 4.82 0.00 2.70 2.71 0.00 0.00 6.92 8.02 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 43 P 0.00 4.49 0.00 2.18 2.07 0.00 3.77 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 1.99 1.99 0.00 44 K 8.37 4.44 0.00 1.75 1.84 0.00 1.61 0.00 0.00 1.83 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.54 1.54 7.81 45 L 8.97 5.53 0.00 1.55 1.54 0.94 0.98 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 46 V 8.83 4.87 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 1.09 0.00 0.00 1.09 0.00 0.00 47 L 8.26 5.49 0.00 1.71 1.43 0.92 0.75 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 48 V 8.90 4.84 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 0.24 0.00 0.00 0.97 0.00 0.00 49 S 8.78 5.19 0.00 3.92 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 50 I 8.94 4.66 2.15 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 0.98 0.00 0.00 51 G 8.65 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 52 E 8.80 4.02 0.00 2.07 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 0.00 2.37 2.29 0.00 53 K 7.88 4.22 0.00 1.77 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.43 7.81 54 A 7.83 4.31 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 55 K 8.60 3.84 0.00 1.83 1.85 0.00 1.72 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.46 7.81 *57 L 8.06 4.34 0.00 1.82 1.80 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.00 4.27 0.00 2.20 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 0.00 2.49 2.19 0.00 59 K 7.66 3.85 0.00 1.72 1.81 0.00 1.35 0.00 0.00 1.52 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.60 1.47 7.81 60 I 7.44 3.62 1.05 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 1.45 0.33 0.14 0.00 0.00 61 Q 8.07 4.18 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.84 0.00 0.00 0.00 0.00 0.00 2.91 2.89 0.00 62 Q 7.99 4.09 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.02 0.00 0.00 0.00 0.00 0.00 2.40 2.63 0.00 63 S 8.01 4.22 0.00 4.01 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 64 K 8.58 4.01 0.00 1.93 1.94 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.52 7.81 65 K 7.66 5.14 0.00 1.72 1.67 0.00 1.76 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.35 7.81 66 Y 8.19 5.04 0.00 3.09 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 67 A 9.29 5.14 1.20 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 68 V 8.95 4.36 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 0.07 0.00 0.00 1.09 0.00 0.00 69 N 9.02 5.16 0.00 2.59 2.66 0.00 0.00 6.60 7.09 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 70 I 8.46 4.33 1.84 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 1.05 0.77 0.92 0.00 0.00 71 L 8.81 4.97 0.00 1.68 1.56 0.93 1.04 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 72 S 9.19 4.77 0.00 3.97 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 73 Q 8.64 3.92 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.09 0.00 0.00 0.00 0.00 0.00 2.40 2.56 0.00 74 D 7.89 4.75 0.00 2.72 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 75 Q 7.97 4.60 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 76 K 8.35 3.41 0.00 1.47 1.68 0.00 1.50 0.00 0.00 1.45 0.00 0.00 2.81 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.10 0.44 7.81 77 V 7.61 3.68 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 0.79 0.00 0.00 0.87 0.00 0.00 78 L 7.94 4.09 0.00 1.97 1.89 0.94 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 79 S 7.98 4.32 0.00 3.87 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *81 N 8.19 4.47 0.00 2.72 2.62 0.00 0.00 7.12 7.71 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 82 F 8.32 4.48 0.00 3.11 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 83 A 7.73 4.48 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 84 G 8.07 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 85 Q 8.24 4.51 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.72 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.53 0.00 86 L 7.45 4.77 0.00 1.55 1.52 0.84 0.91 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 87 E 8.96 4.04 0.00 1.94 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 2.31 2.24 0.00 88 K 7.62 4.50 0.00 1.66 1.64 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.29 1.39 7.81 89 P 0.00 4.47 0.00 2.03 1.88 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 90 V 7.88 3.90 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 0.53 0.00 0.00 0.79 0.00 0.00 91 D 8.28 4.47 0.00 2.59 2.58 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 92 V 7.93 3.78 1.82 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 0.35 0.00 0.00 0.87 0.00 0.00 93 Q 8.23 4.22 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.65 0.00 0.00 0.00 0.00 0.00 2.33 2.27 0.00 94 F 8.64 5.37 0.00 2.96 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 95 E 9.16 4.92 0.00 1.99 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 0.00 2.21 2.25 0.00 96 E 8.68 5.12 0.00 1.90 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 2.16 2.25 0.00 97 L 9.15 4.31 0.00 1.72 1.44 0.92 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 98 G 9.31 4.13 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 0.00 0.00 0.00 99 G 8.38 3.90 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 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.60 4.68 0.00 1.82 1.53 0.94 0.96 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 0.00 101 P 0.00 4.86 0.00 1.68 1.83 0.00 3.63 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 102 V 9.03 4.74 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 0.78 0.00 0.00 1.03 0.00 0.00 103 I 8.98 4.40 1.83 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 1.20 0.84 0.00 0.00 104 K 8.29 4.17 0.00 1.77 1.66 0.00 1.90 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.41 7.81 105 D 8.93 4.46 0.00 2.85 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 0.00 106 A 7.50 4.33 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 0.00 107 L 8.85 4.20 0.00 1.80 1.93 1.02 0.67 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 0.00 108 A 7.76 5.19 1.20 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 0.00 109 Q 9.41 4.91 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 110 I 8.62 4.94 1.88 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 1.28 0.80 0.98 0.00 0.00 111 S 8.96 4.94 0.00 3.72 3.70 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 0.00 112 C 8.77 5.18 0.00 1.80 2.34 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 0.00 113 Q 8.50 4.75 0.00 1.91 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 114 V 8.60 4.22 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 1.04 0.00 0.00 1.15 0.00 0.00 115 V 8.80 4.46 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 1.03 0.00 0.00 116 N 7.88 4.93 0.00 2.79 2.62 0.00 0.00 6.57 7.65 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 0.00 117 E 8.63 4.76 0.00 1.96 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 2.01 1.74 0.00 118 V 8.40 4.32 2.01 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 0.70 0.00 0.00 0.89 0.00 0.00 119 Q 8.70 4.46 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 120 A 9.20 4.41 1.20 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 0.00 121 G 8.36 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.81 4.49 0.00 2.84 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 0.00 123 H 8.20 5.36 0.00 3.24 3.15 0.00 5.75 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 9.05 4.89 4.05 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 0.53 0.00 0.00 125 L 8.81 4.87 0.00 1.46 1.57 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 126 F 9.13 5.11 0.00 2.87 3.12 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 0.00 127 I 8.71 4.80 1.94 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 1.21 0.79 0.96 0.00 0.00 128 G 9.62 4.37 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 0.00 0.00 0.00 129 E 9.00 4.91 0.00 2.04 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 2.24 2.41 0.00 130 V 8.54 4.23 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 0.82 0.00 0.00 0.97 0.00 0.00 131 T 8.99 4.50 4.22 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 1.17 0.00 0.00 132 D 7.75 4.91 0.00 2.55 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 0.00 133 I 8.23 4.94 1.88 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 1.25 0.61 0.93 0.00 0.00 134 K 9.30 4.66 0.00 1.75 1.58 0.00 1.57 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.39 7.81 135 I 8.52 5.03 1.88 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 1.42 0.81 0.92 0.00 0.00 136 T 8.69 4.68 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 1.25 0.00 0.00 137 E 8.44 4.51 0.00 1.96 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 2.23 2.25 0.00 138 Q 7.86 4.25 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.95 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 139 D 8.33 4.83 0.00 2.61 2.58 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 0.00 140 P 0.00 4.96 0.00 2.10 2.06 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 141 L 8.57 4.23 0.00 1.95 1.64 0.92 0.53 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 0.00 142 L 8.86 5.28 0.00 1.78 1.61 0.93 0.80 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 0.00 143 F 9.34 5.47 0.00 3.08 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 0.00 144 F 8.86 4.85 0.00 2.97 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 0.00 145 S 8.98 3.26 0.00 3.36 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 0.00 146 G 7.61 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 0.00 147 K 6.91 4.49 0.00 1.77 1.51 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.24 7.81 148 Y 8.24 5.11 0.00 2.98 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 0.00 149 H 9.70 5.17 0.00 3.04 3.19 0.00 5.55 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 Q 8.50 4.99 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.94 0.00 0.00 0.00 0.00 0.00 2.28 2.40 0.00 151 L 8.50 4.05 0.00 1.63 1.59 0.92 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 152 A 8.50 4.03 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 0.00 153 Q 8.60 4.22 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.60 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 * Residues marked with a * may have inaccurate shift predictions.