NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4366 8.1633 120.3494 54.7085 34.3960 176.6754 2 N 4.1814 8.4092 121.0996 55.8968 39.6350 174.3858 3 R 4.6184 7.8808 116.4911 52.6528 32.0371 175.2531 4 G 3.8310 8.3868 108.1790 47.4874 0.0000 171.2612 5 A 4.1016 7.8477 122.5633 54.2593 19.0160 178.7133 6 L 3.9066 7.9361 118.2485 58.4644 42.2623 179.2026 7 I 3.7972 8.0683 120.0195 64.0571 37.0930 177.9906 8 K 4.6051 7.5512 120.2064 59.2626 31.8945 179.1454 9 L 4.0079 7.7909 117.2483 57.8546 41.6519 179.8998 10 V 3.6833 8.3170 118.4354 66.1368 31.6172 177.8385 11 E 4.0748 7.9977 117.6047 58.7511 30.2024 177.9745 12 S 4.1726 7.4937 116.1879 57.9858 61.2559 174.1003 13 R 4.2408 7.7211 116.3501 56.4626 30.4364 175.7511 14 Y 4.5915 7.5947 112.9458 57.3533 38.4255 176.0321 15 V 4.5817 7.3745 118.4913 59.8983 33.8883 176.7006 16 R 4.2789 8.2181 124.5043 58.3993 31.7187 175.0274 17 T 4.5994 7.2144 121.7295 63.8687 69.9084 174.8564 18 D 4.4785 8.1908 120.4281 55.9060 39.7125 177.0395 19 L 4.1885 7.6487 118.8710 53.4554 42.2834 175.0033 20 P 4.3316 0.0000 0.0000 62.8813 31.9051 175.4644 21 E 4.1106 8.5372 122.7213 55.1260 30.4499 175.2324 22 F 5.0153 7.2521 119.5851 55.8250 41.2039 172.9005 23 R 4.7223 8.7668 115.1995 55.3929 31.7724 175.1205 24 P 5.0073 0.0000 0.0000 66.6837 31.9214 176.2065 25 G 3.4811 12.0000 110.4404 46.7217 0.0000 176.4654 26 D 4.6094 8.6434 118.7726 53.8861 44.3282 175.4074 27 T 4.2314 7.2904 128.5870 59.6338 66.5894 176.1637 28 V 3.7481 8.7615 124.0376 63.1790 31.0276 168.7949 29 R 4.3329 9.0606 129.5934 57.4921 32.1118 173.2387 30 V 3.4765 8.0664 114.2066 61.7049 34.7257 174.9720 31 S 4.6779 7.5853 122.8986 58.0931 65.1600 173.6839 32 Y 4.8041 8.4417 117.2275 56.1890 45.0882 170.5677 33 K 3.6045 7.1510 126.0489 54.7790 32.2476 174.8739 34 V 4.5068 8.4623 120.7414 59.4450 34.0738 175.1862 35 K 4.0009 8.6684 123.3717 58.9103 35.9304 174.3514 36 E 3.5530 9.9782 120.0170 57.0328 28.3129 175.8038 37 G 4.0228 8.3587 105.8993 45.3487 0.0000 173.1935 38 N 4.7695 7.2785 116.1717 51.4279 36.5569 175.3174 39 R 3.1763 7.8581 118.9591 57.8861 31.4001 175.8278 40 T 3.9089 6.5412 107.6098 57.8457 70.0563 174.1507 41 R 5.5687 7.1791 135.0000 56.4998 31.9896 171.9085 42 I 3.8605 7.7654 112.8749 61.0521 38.2566 175.9773 43 Q 4.5183 8.6568 129.0972 55.2115 30.8448 174.2434 44 D 5.1892 8.5314 123.6178 53.2179 43.4929 176.6017 45 F 4.4850 8.4733 122.5763 56.8934 40.8034 172.3786 46 E 4.2779 8.3811 126.1529 55.2711 30.3434 175.4107 47 G 4.0988 8.1106 112.3122 45.8062 0.0000 172.5749 48 I 4.2090 7.7769 121.6727 60.8476 38.7039 176.2369 49 V 4.4695 8.3727 126.5149 61.2054 31.6740 176.5409 50 I 3.8252 8.6228 128.6129 63.8524 38.6366 176.6923 51 R 4.5287 7.6645 120.6465 55.2874 33.9039 173.8161 52 I 5.0048 8.5698 127.3318 59.6365 39.5346 174.9420 53 R 4.5323 9.4704 128.8323 54.4218 31.9252 175.4382 54 R 4.3826 8.6375 125.6106 56.2737 30.9046 175.5388 55 N 4.4797 8.7618 116.3189 53.4967 40.9923 175.9104 56 G 3.9244 8.4621 105.2240 45.6510 0.0000 175.9738 57 F 4.6420 8.4432 120.6680 56.7918 41.5397 174.5610 58 N 3.5501 6.7211 115.8655 52.9681 36.1397 173.8522 59 T 4.3324 7.5257 110.3493 62.4301 69.9214 173.9058 60 T 5.1961 8.3776 114.7347 60.2944 72.4905 172.5358 61 F 6.2327 9.3245 114.9006 56.4323 41.6082 173.3798 62 T 4.7699 8.6005 110.3171 59.8342 72.0140 172.6960 63 V 4.9026 8.1508 123.0443 61.1567 35.0655 173.9205 64 R 5.0796 9.1799 128.2242 54.6329 31.9874 174.6516 65 K 4.8399 9.7172 126.9249 54.8240 36.6034 175.0001 66 V 4.8471 7.9542 122.6442 59.8330 31.0133 173.3736 67 S 4.3118 8.2456 115.6212 58.4643 62.9376 174.8729 68 Y 3.5448 8.7034 130.0861 59.2165 36.0247 171.7016 69 G 3.6576 9.4737 116.4164 49.0480 0.0000 173.8503 70 V 4.1069 7.6473 119.6402 61.7381 33.7606 174.6745 71 G 4.4458 8.4716 109.2389 44.5335 0.0000 172.9914 72 V 4.7449 10.1814 120.9415 60.8871 35.6631 173.8646 73 E 5.7607 8.7230 124.4476 53.7279 32.3874 175.2711 74 R 4.1683 8.1878 122.8283 54.0761 33.0484 174.8573 75 I 4.2510 7.5897 123.5073 59.4106 39.3376 174.7900 76 F 5.1565 7.9636 126.4611 55.0242 40.7393 175.4265 77 P 4.2899 0.0000 0.0000 63.7232 31.4253 177.7448 78 L 4.1956 9.1112 118.1727 55.3129 40.8014 173.2935 79 H 4.9587 7.7392 113.1292 56.3432 33.6107 172.4036 80 S 4.4383 8.7255 115.5433 56.6956 59.9205 168.2097 81 P 4.2140 0.0000 0.0000 61.6031 30.2547 176.3058 82 L 4.3737 8.0592 126.2313 57.8455 42.7163 178.5667 83 I 3.0580 6.1761 110.2762 61.5641 40.1895 176.3978 84 Q 4.8481 7.0182 121.0413 54.5480 31.4904 174.9670 85 K 4.3775 8.0318 111.6482 55.3036 34.0180 175.3956 86 I 3.8799 7.7909 118.9467 61.4406 38.6456 174.0372 87 D 4.8987 8.2004 122.5576 52.7466 42.1080 173.9309 88 I 3.8723 8.5529 124.2332 62.9060 36.9247 178.1878 89 V 4.2690 8.9526 126.2199 62.0260 33.3695 174.5624 90 Q 4.5025 8.6623 127.3405 55.4930 30.4052 174.3930 91 R 4.2276 8.3786 125.6858 54.1970 35.7471 178.7277 92 G 3.6794 9.6669 115.6973 46.4386 0.0000 175.9024 93 R 3.2156 8.6591 119.1306 56.7103 30.9304 176.7282 94 A 3.7533 8.7180 113.8619 53.4545 15.1764 176.8705 95 R 4.2986 8.1965 120.1699 57.5311 30.3453 176.8280 96 R 4.6226 7.6171 113.5341 54.3164 31.8533 174.0436 97 A 3.9458 8.0484 120.9052 54.1632 18.9047 177.2763 98 K 4.3000 7.7557 114.1951 54.6923 34.4366 177.7379 99 L 5.1115 7.7631 123.3485 54.3200 40.1183 177.0949 100 Y 4.2052 7.8318 118.7071 60.5839 38.6241 177.4215 101 F 4.3882 8.5976 116.1778 59.9914 37.2559 177.3456 102 I 3.6521 6.5269 112.8770 63.5909 37.0068 178.1622 103 R 3.9638 7.5876 119.1862 59.4907 30.2624 177.6796 104 N 4.4595 7.8997 112.2273 55.7884 38.5217 175.8595 105 L 4.6435 7.4845 119.5433 52.3286 42.3805 174.8227 106 S 4.7886 8.5083 116.6052 55.9302 66.2623 174.0214 107 D 4.6141 8.0246 125.9278 52.6910 41.3119 179.2758 108 R 4.0464 8.7749 117.1968 58.3368 30.0770 177.7282 109 E 4.1727 7.8636 118.0362 59.8356 29.7051 178.6814 110 I 3.7274 7.7885 119.2853 64.6958 36.9702 178.4806 111 R 4.0044 7.7292 117.1675 59.2045 29.8645 178.9072 112 R 4.1804 7.9606 117.4207 58.5877 30.3590 178.3065 113 K 4.3755 7.9151 115.5032 56.8704 33.8338 176.7848 114 L 5.1378 7.6049 118.0702 52.3910 43.3891 176.3224 115 R 3.6826 8.4467 115.9129 58.1065 29.4022 179.0921 116 A 4.1561 8.6980 127.7201 52.0527 20.8583 177.1324 117 D 4.5393 8.1013 123.1030 55.2725 39.8588 177.1592 118 R 3.8031 8.6934 124.1603 59.4194 30.5769 179.3135 119 K 4.2371 8.0738 117.8849 59.8865 32.1884 178.3683 120 R 4.0039 7.3906 116.3570 58.7093 30.2215 179.0009 121 I 3.9541 8.4788 121.0309 64.4112 37.3377 177.7755 122 D 4.6151 7.9888 118.2082 55.7965 40.5371 177.2567 123 Q 4.4012 7.4744 117.2278 56.4156 29.3395 175.9784 124 D 4.7735 7.8806 121.9674 56.2057 42.2858 178.4991 125 R 4.0617 7.9775 115.9505 58.0312 30.4739 177.1882 126 A 4.2533 7.5301 118.9837 53.2181 19.4677 177.2297 127 A 4.5942 7.4424 119.8362 52.3795 18.9966 177.2969 128 E 4.6174 7.7846 115.1301 56.7622 30.7054 176.3893 129 R 4.3345 7.9292 119.7386 57.5950 27.5658 175.6692 130 A 4.3461 7.7096 119.9475 52.0221 20.4466 176.8663 131 A 3.9189 7.0430 117.1050 51.3588 16.8629 178.2021 132 K 4.3788 8.3173 123.1586 57.6194 29.4949 178.1409 133 E 4.3855 8.0705 123.5570 56.1186 29.6850 175.9206 134 E 4.4454 8.5330 117.5429 55.1263 31.4868 175.0525 135 A 4.2751 8.7415 130.6203 52.8673 19.1905 178.9264 136 Q 3.8974 8.3128 114.9689 57.8355 27.7788 177.9077 137 K 4.1475 5.6600 113.0972 55.6681 31.8148 176.9050 *138 A 4.1104 7.6884 125.4274 52.5020 18.7921 176.9075 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 1 M 8.16 4.44 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.63 0.00 2 N 8.41 4.18 0.00 2.83 2.90 0.00 0.00 6.62 6.78 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 3 R 7.88 4.62 0.00 1.85 1.81 0.00 3.32 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 4 G 8.39 3.83 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 0.00 0.00 0.00 5 A 7.85 4.10 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 6 L 7.94 3.91 0.00 1.65 1.75 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.07 3.80 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 1.79 0.89 0.92 0.00 0.00 8 K 7.55 4.61 0.00 1.86 1.92 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.54 7.81 9 L 7.79 4.01 0.00 1.81 1.76 0.93 0.78 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 10 V 8.32 3.68 2.25 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 1.02 0.00 0.00 0.96 0.00 0.00 11 E 8.00 4.07 0.00 2.25 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 0.00 2.37 2.45 0.00 12 S 7.49 4.17 0.00 3.88 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 13 R 7.72 4.24 0.00 1.58 1.39 0.00 3.13 0.00 0.00 3.08 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.47 0.00 14 Y 7.59 4.59 0.00 2.91 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 15 V 7.37 4.58 1.99 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 0.76 0.00 0.00 0.97 0.00 0.00 16 R 8.22 4.28 0.00 1.65 2.10 0.00 3.60 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.49 0.00 17 T 7.21 4.60 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 1.19 0.00 0.00 18 D 8.19 4.48 0.00 2.82 2.78 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 19 L 7.65 4.19 0.00 1.65 1.70 0.93 1.05 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 20 P 0.00 4.33 0.00 2.20 2.07 0.00 3.77 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 2.27 2.12 0.00 21 E 8.54 4.11 0.00 1.84 1.78 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 2.07 2.07 0.00 22 F 7.25 5.02 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 R 8.77 4.72 0.00 2.00 2.02 0.00 3.00 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.70 0.00 24 P 0.00 5.01 0.00 2.14 2.12 0.00 3.78 0.00 0.00 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 25 G 12.00 3.48 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 0.00 26 D 8.64 4.61 0.00 2.60 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 27 T 7.29 4.23 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 28 V 8.76 3.75 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 0.85 0.00 0.00 1.08 0.00 0.00 29 R 9.06 4.33 0.00 2.06 1.80 0.00 3.54 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 30 V 8.07 3.48 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 1.05 0.00 0.00 1.01 0.00 0.00 31 S 7.59 4.68 0.00 3.52 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 Y 8.44 4.80 0.00 3.16 3.01 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 33 K 7.15 3.60 0.00 2.04 1.75 0.00 1.56 0.00 0.00 1.28 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.10 1.39 7.81 34 V 8.46 4.51 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 0.96 0.00 0.00 0.99 0.00 0.00 35 K 8.67 4.00 0.00 1.97 1.93 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.22 1.18 7.81 36 E 9.98 3.55 0.00 2.09 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 0.00 2.36 2.28 0.00 37 G 8.36 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 38 N 7.28 4.77 0.00 2.83 2.85 0.00 0.00 6.98 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 39 R 7.86 3.18 0.00 1.94 1.87 0.00 3.18 0.00 0.00 3.42 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 40 T 6.54 3.91 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 41 R 7.18 5.57 0.00 2.12 1.93 0.00 3.42 0.00 0.00 3.27 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.45 0.00 42 I 7.77 3.86 1.90 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 1.25 0.61 0.96 0.00 0.00 43 Q 8.66 4.52 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 44 D 8.53 5.19 0.00 2.59 2.59 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 0.00 0.00 0.00 0.00 45 F 8.47 4.49 0.00 3.10 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 46 E 8.38 4.28 0.00 1.98 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 2.23 2.29 0.00 47 G 8.11 4.10 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 0.00 48 I 7.78 4.21 1.85 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 1.26 0.36 0.94 0.00 0.00 49 V 8.37 4.47 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 0.92 0.00 0.00 1.22 0.00 0.00 50 I 8.62 3.83 1.79 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 1.02 1.07 0.63 0.00 0.00 51 R 7.66 4.53 0.00 1.45 1.59 0.00 3.24 0.00 0.00 3.23 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 52 I 8.57 5.00 1.90 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 1.47 0.93 0.86 0.00 0.00 53 R 9.47 4.53 0.00 1.83 1.83 0.00 3.28 0.00 0.00 3.29 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.74 0.00 54 R 8.64 4.38 0.00 1.85 1.84 0.00 3.31 0.00 0.00 3.12 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 55 N 8.76 4.48 0.00 2.61 2.71 0.00 0.00 6.98 7.98 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 56 G 8.46 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 57 F 8.44 4.64 0.00 2.96 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 58 N 6.72 3.55 0.00 2.59 2.17 0.00 0.00 6.02 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 59 T 7.53 4.33 4.34 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 1.34 0.00 0.00 60 T 8.38 5.20 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 1.27 0.00 0.00 61 F 9.32 6.23 0.00 3.39 3.16 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 0.00 62 T 8.60 4.77 4.08 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 1.09 0.00 0.00 63 V 8.15 4.90 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 1.24 0.00 0.00 0.93 0.00 0.00 64 R 9.18 5.08 0.00 1.89 1.74 0.00 3.28 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 65 K 9.72 4.84 0.00 1.67 1.32 0.00 1.40 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.95 1.23 7.81 66 V 7.95 4.85 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 1.28 0.00 0.00 0.92 0.00 0.00 67 S 8.25 4.31 0.00 3.77 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 68 Y 8.70 3.54 0.00 3.10 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 0.00 0.00 0.00 69 G 9.47 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 70 V 7.65 4.11 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 0.96 0.00 0.00 0.94 0.00 0.00 71 G 8.47 4.45 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 0.00 72 V 10.18 4.74 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 1.06 0.00 0.00 0.94 0.00 0.00 73 E 8.72 5.76 0.00 1.81 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 0.00 2.18 2.14 0.00 74 R 8.19 4.17 0.00 0.67 0.66 0.00 2.63 0.00 0.00 2.91 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 75 I 7.59 4.25 1.66 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 1.12 0.35 0.77 0.00 0.00 76 F 7.96 5.16 0.00 2.17 2.84 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 0.00 0.00 0.00 77 P 0.00 4.29 0.00 2.22 2.04 0.00 3.81 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.08 0.00 78 L 9.11 4.20 0.00 2.16 2.09 0.82 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 79 H 7.74 4.96 0.00 3.05 3.38 0.00 5.90 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.73 4.44 0.00 4.00 3.56 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 81 P 0.00 4.21 0.00 0.49 1.22 0.00 3.50 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.94 0.00 82 L 8.06 4.37 0.00 1.60 1.57 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 83 I 6.18 3.06 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 1.50 0.51 0.93 0.00 0.00 84 Q 7.02 4.85 0.00 2.16 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 7.63 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 85 K 8.03 4.38 0.00 1.74 1.84 0.00 1.98 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.28 1.35 7.81 86 I 7.79 3.88 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 1.36 0.76 0.95 0.00 0.00 87 D 8.20 4.90 0.00 2.62 2.57 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 88 I 8.55 3.87 1.87 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 1.11 0.54 0.91 0.00 0.00 89 V 8.95 4.27 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 0.93 0.00 0.00 90 Q 8.66 4.50 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.45 0.00 0.00 0.00 0.00 0.00 2.40 2.55 0.00 91 R 8.38 4.23 0.00 1.85 1.51 0.00 3.28 0.00 0.00 3.58 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 92 G 9.67 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 93 R 8.66 3.22 0.00 1.86 2.09 0.00 3.32 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 94 A 8.72 3.75 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 95 R 8.20 4.30 0.00 1.82 1.99 0.00 3.38 0.00 0.00 3.29 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.57 0.00 96 R 7.62 4.62 0.00 1.86 1.87 0.00 3.18 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 97 A 8.05 3.95 1.30 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 0.00 0.00 98 K 7.76 4.30 0.00 1.86 1.71 0.00 1.60 0.00 0.00 1.83 0.00 0.00 3.22 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.58 1.30 7.81 99 L 7.76 5.11 0.00 1.59 2.10 0.82 1.04 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 0.00 100 Y 7.83 4.21 0.00 3.08 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 0.00 101 F 8.60 4.39 0.00 3.26 3.40 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 0.00 102 I 6.53 3.65 1.68 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.65 0.14 0.00 0.00 103 R 7.59 3.96 0.00 1.88 2.10 0.00 3.22 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 104 N 7.90 4.46 0.00 2.86 2.92 0.00 0.00 6.88 7.73 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 0.00 105 L 7.48 4.64 0.00 1.71 1.84 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 106 S 8.51 4.79 0.00 3.90 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 0.00 107 D 8.02 4.61 0.00 2.87 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.77 4.05 0.00 1.83 2.01 0.00 3.24 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 109 E 7.86 4.17 0.00 2.36 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 2.35 2.45 0.00 110 I 7.79 3.73 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.54 0.89 0.00 0.00 111 R 7.73 4.00 0.00 1.97 2.01 0.00 3.16 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 112 R 7.96 4.18 0.00 2.03 2.01 0.00 3.17 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 113 K 7.92 4.38 0.00 1.85 2.07 0.00 1.63 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.62 1.67 7.81 114 L 7.60 5.14 0.00 1.62 1.59 0.91 1.05 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 0.00 115 R 8.45 3.68 0.00 1.81 1.75 0.00 3.43 0.00 0.00 3.24 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 116 A 8.70 4.16 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 0.00 117 D 8.10 4.54 0.00 2.92 2.63 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 0.00 118 R 8.69 3.80 0.00 1.92 2.19 0.00 3.22 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 119 K 8.07 4.24 0.00 1.83 1.97 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.59 7.81 120 R 7.39 4.00 0.00 1.80 2.00 0.00 3.24 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 121 I 8.48 3.95 2.11 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 1.76 0.93 0.92 0.00 0.00 122 D 7.99 4.62 0.00 2.69 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 0.00 123 Q 7.47 4.40 0.00 2.19 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.75 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 124 D 7.88 4.77 0.00 3.07 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 0.00 125 R 7.98 4.06 0.00 1.80 1.99 0.00 3.36 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.57 0.00 126 A 7.53 4.25 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 0.00 127 A 7.44 4.59 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 0.00 128 E 7.78 4.62 0.00 2.18 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 2.27 2.42 0.00 129 R 7.93 4.33 0.00 1.77 1.93 0.00 3.26 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 130 A 7.71 4.35 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 0.00 131 A 7.04 3.92 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 0.00 132 K 8.32 4.38 0.00 1.83 1.78 0.00 1.67 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.43 7.81 133 E 8.07 4.39 0.00 1.90 1.93 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 2.29 2.35 0.00 134 E 8.53 4.45 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 2.24 2.28 0.00 135 A 8.74 4.28 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 0.00 136 Q 8.31 3.90 0.00 2.01 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 7.66 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 137 K 5.66 4.15 0.00 2.08 1.78 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.53 7.81 *138 A 7.69 4.11 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 * Residues marked with a * may have inaccurate shift predictions.