NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3568 8.1627 118.3412 55.0917 33.0961 175.0280 2 Q 3.6197 8.6306 125.0904 54.4168 26.7880 173.5434 3 K 3.9312 8.6098 126.2147 57.8657 33.8882 176.4396 4 A 4.3316 7.3022 120.4968 51.7309 22.3430 175.0418 5 V 4.4252 8.3972 121.1631 61.8641 32.3163 176.2240 6 V 4.2665 8.2745 119.9602 61.7939 33.0099 176.1283 7 M 4.6638 7.6865 119.9304 53.9599 35.9026 174.2442 8 D 5.2061 8.3932 123.3531 51.4177 42.3060 176.3713 9 E 3.9120 8.7159 118.2220 59.6263 29.1938 178.5411 10 Q 3.9023 8.1207 118.7096 59.1729 29.2790 177.8953 11 A 4.0144 8.5651 122.0753 55.1235 18.4030 179.6643 12 I 3.6336 7.8148 118.3139 64.4342 37.2331 178.5123 13 R 3.8789 8.0569 119.4611 59.7804 29.9938 178.8754 14 R 4.0185 8.1185 117.2646 58.6654 29.9064 179.0586 15 A 3.9591 8.1398 121.0436 55.2833 18.5077 179.7678 16 L 3.9392 8.0442 117.3567 57.8988 41.6043 180.0972 17 T 3.8699 7.7597 115.5986 66.4677 68.3671 176.6927 18 R 3.8925 7.8830 120.5041 59.6554 30.0881 178.3466 19 I 3.6031 7.9607 119.4219 64.4779 37.0258 178.1198 20 A 3.8222 7.8816 121.2927 55.6138 18.2113 179.4953 21 H 4.1391 8.0547 114.5122 58.8401 28.7349 177.9736 22 E 4.0797 8.4186 120.9049 59.3137 28.7686 179.3731 23 I 3.3993 7.5104 119.9169 64.3497 37.0487 178.5278 24 I 3.7050 7.4121 120.2123 64.2193 36.9912 178.1523 25 E 3.9274 8.2444 120.0578 59.3273 29.4340 178.3830 26 R 4.3311 8.4060 115.5883 57.4435 30.2983 176.0378 27 N 4.8716 7.5561 112.4136 52.6877 40.1277 174.3925 28 K 3.6628 8.7305 117.1663 57.3403 30.1066 172.7063 29 G 3.8355 7.8254 103.4735 44.6124 0.0000 173.3914 30 I 4.1769 8.1633 110.0574 60.0888 38.3468 174.9702 31 D 4.4562 7.9462 121.5935 56.3544 41.1069 176.1706 32 G 3.9306 9.0831 113.8217 45.8240 0.0000 171.8892 33 C 4.9484 7.7490 116.3512 58.2991 30.4709 173.5593 34 V 4.5621 8.4467 120.2091 61.5737 35.3523 173.3698 35 L 4.9264 8.8667 127.9900 53.2156 43.7460 175.5642 36 V 4.3209 8.4618 125.2952 60.7354 33.4496 174.7115 37 G 4.0700 8.4925 116.8888 45.7420 0.0000 172.4695 38 I 4.0005 8.6461 127.5368 61.9381 36.9069 177.6360 39 K 4.2389 8.1410 125.9943 55.9355 30.8793 175.5777 40 T 3.7735 7.7164 113.6964 68.1999 67.9335 176.2543 41 R 4.4621 8.1368 121.4713 59.4154 30.6231 179.3392 42 G 3.9793 7.5252 106.5136 47.2379 0.0000 175.9042 43 I 3.5994 7.5143 121.6800 64.3650 37.0919 178.1282 44 Y 4.1774 7.4927 117.0481 60.9534 37.7017 178.4905 45 L 4.0060 8.0748 119.7201 57.7964 41.6892 179.2556 46 A 3.9845 7.9598 120.6708 55.3281 18.2163 179.9913 47 R 3.8391 7.9775 116.4025 59.4031 30.0871 179.4593 48 R 3.9384 8.0900 117.8372 59.3149 30.0050 179.1183 49 L 3.9175 8.3701 118.9425 57.6207 41.5737 179.4577 50 A 3.9130 8.1722 121.0490 55.0930 18.3559 179.3119 51 E 3.8618 8.5818 118.2385 59.3696 28.5051 179.1853 52 R 3.8515 8.2359 118.3808 59.4803 30.1810 179.0503 53 I 3.8822 7.8721 119.6494 64.3283 37.0252 178.0964 54 E 4.7805 8.5491 121.7034 58.6134 29.2128 177.9205 55 Q 4.2573 7.6652 114.8328 56.4641 28.8887 176.0938 56 I 4.3235 7.0463 122.2112 62.5963 39.4930 176.3426 57 E 4.3702 8.3370 117.6403 55.5675 30.2851 177.7642 58 G 3.9292 8.2720 107.1961 44.9385 0.0000 173.5221 59 A 4.7226 7.4117 122.7563 50.2275 21.1175 176.2068 60 S 4.8291 8.2962 115.4236 57.0107 64.9532 173.5923 61 V 4.3965 7.7890 120.2159 60.0499 33.7960 173.5638 62 P 4.4717 0.0000 0.0000 62.9812 32.5331 175.2205 63 V 4.7457 8.3555 122.0390 61.1121 34.3513 174.6438 64 G 3.7196 8.9888 113.8700 44.7989 0.0000 171.8184 65 E 4.1917 9.0568 116.9868 55.3374 31.8748 172.2308 66 L 3.6884 7.8636 128.2467 54.5486 43.0177 172.7962 67 D 5.1537 8.5731 124.9462 52.5195 44.4522 172.8021 68 I 4.3567 8.3177 122.5007 61.1991 37.8726 176.9368 69 T 3.3011 9.5372 118.7731 66.4990 65.9914 171.8634 70 L 3.6858 7.8054 120.4384 55.9702 39.7458 175.1838 71 Y 4.6410 7.5048 124.9016 57.3799 40.1842 175.1347 *91 V 4.1111 8.4008 114.9311 62.5323 33.2071 174.8530 92 P 4.2840 0.0000 0.0000 62.9405 31.5196 174.7978 93 F 4.9223 7.2177 111.1880 55.2558 40.0947 172.1655 94 P 4.3860 0.0000 0.0000 63.5077 32.0178 175.5667 95 V 4.3632 8.3388 119.6191 64.7583 33.7913 175.6362 96 T 4.1384 7.9412 114.8375 65.0785 68.5458 173.8316 97 E 3.7862 9.1461 124.1508 57.1112 28.1421 174.3424 98 R 4.6471 7.6925 118.2868 54.8124 33.3353 175.3719 99 N 4.9254 9.6439 121.5638 52.5490 39.6911 173.7800 100 V 4.3229 8.7220 127.8508 62.1652 33.0149 174.8303 101 I 4.8681 8.7215 130.6827 59.5882 38.6960 175.2378 102 L 4.5841 8.8390 128.7043 54.4896 43.1007 176.5836 103 V 4.9508 8.6488 122.4819 61.2607 34.4127 173.8072 104 D 5.1524 9.0065 126.6744 52.5059 44.9755 175.7644 105 D 4.4687 8.8229 122.6233 55.8260 40.9564 176.3546 106 V 4.8778 7.5655 117.6581 60.7454 34.6599 174.2424 107 L 4.4690 9.3396 130.6450 55.2294 43.6038 173.9972 108 F 5.2170 9.1454 124.8560 58.9715 39.5220 176.7324 109 T 3.8625 8.2551 113.4459 62.2292 69.7511 176.9411 110 G 4.0380 8.2830 109.7649 45.3631 0.0000 175.2039 111 R 3.9570 7.8186 119.0471 59.4106 29.9553 179.0222 112 T 3.9414 7.8520 115.3181 66.5644 68.5037 176.8134 113 V 3.6391 7.7564 119.7940 65.8527 31.6074 177.8499 114 R 3.8637 8.0929 118.4005 59.3745 29.8372 178.3849 115 A 4.0107 7.9843 119.8905 55.0800 18.2919 179.4346 116 A 3.9826 8.0853 119.3116 55.4997 18.4500 179.8020 117 M 4.0284 8.2826 117.2280 58.6527 32.1498 178.6551 118 D 4.3338 8.0940 118.6950 57.2809 40.7994 178.4860 119 A 4.0194 7.9798 120.0572 55.5083 18.7973 179.5090 120 V 3.7839 8.1825 116.7642 66.5500 31.3984 178.1171 121 M 4.3285 8.4057 117.4331 57.8953 31.8246 177.7484 122 D 4.5704 7.8023 117.6771 55.7648 41.3448 177.6700 123 L 4.4401 7.5842 117.7752 54.2548 42.2997 176.1598 124 G 3.8938 6.9338 105.8551 45.9172 0.0000 172.8685 125 R 4.6222 7.4434 119.4518 53.6209 29.5745 173.2123 126 P 4.9139 0.0000 0.0000 61.9542 32.0893 176.6598 127 A 4.3008 8.7051 124.4628 55.2362 18.8963 177.8174 128 R 4.4675 7.4330 108.3012 55.7978 32.3937 173.7191 129 I 5.0385 8.4898 120.4990 59.7868 39.8083 175.0119 130 Q 4.9405 9.3524 125.0216 54.0920 33.1164 174.2156 131 L 5.1639 9.4460 121.7046 53.5147 45.4019 174.7144 132 A 5.5270 9.4512 128.6013 50.3795 21.6807 175.3520 133 V 5.5657 8.9701 115.0853 58.4643 36.0173 176.6752 134 L 4.1783 8.7070 125.7089 57.7333 43.3875 177.0035 135 V 5.5680 8.0440 116.8285 59.3386 35.3746 173.8273 136 D 5.3006 8.8016 122.8144 52.5896 43.2207 175.6783 137 R 5.0348 8.3356 122.2073 55.0488 30.3574 178.2202 138 G 3.7742 8.8736 110.2431 46.5118 0.0000 172.6980 139 H 4.1579 8.5592 111.5051 56.7869 25.6895 175.3532 140 R 4.4881 7.9593 113.7672 56.0187 30.0598 176.0163 141 E 4.6088 9.0642 118.1940 56.0623 30.6510 175.7555 142 L 4.8077 7.3421 117.6857 52.3751 46.3186 174.7865 143 P 4.6206 0.0000 0.0000 62.3070 30.2340 176.2397 144 I 4.5686 7.2792 118.1284 60.1226 40.4165 175.9833 145 R 4.6438 8.2673 122.4521 54.0103 33.7701 175.0365 146 A 4.2610 8.3702 123.7660 52.3140 19.1834 177.4572 147 D 4.3546 8.6876 121.0908 55.7869 42.0280 177.0724 148 F 4.8953 7.8647 116.7993 55.5974 42.8633 173.8525 149 V 4.7063 8.5615 123.7219 61.1270 33.1280 175.3176 150 G 3.8304 9.2173 116.5651 48.8094 0.0000 173.6152 151 K 4.7147 8.1996 122.1072 54.6033 36.2648 173.9095 152 N 4.9996 8.7938 124.9365 52.6805 39.7968 174.8679 153 V 4.2607 8.7987 124.6662 60.0171 33.3941 172.8369 154 P 4.7432 0.0000 0.0000 63.3761 31.9127 175.8577 155 T 4.6991 8.1483 110.6524 60.7905 71.4957 173.2508 156 S 4.6851 9.0404 118.2038 56.9154 64.6368 175.3776 157 R 3.8733 8.4395 121.2519 59.2596 29.8985 177.7925 158 S 4.2827 7.4858 111.0030 60.0765 63.3997 174.0631 159 E 4.5123 7.5002 120.1958 55.7153 30.7342 175.5141 160 L 4.7811 8.8182 119.7563 53.2208 46.5380 175.6035 161 I 4.8516 8.1409 121.0486 59.5525 39.7439 175.2340 162 V 4.2745 8.7042 126.4460 61.0674 34.0018 174.0785 163 V 4.7965 8.4580 127.8733 61.2043 33.3314 174.4094 164 E 5.0306 9.6817 127.5306 54.5692 32.9212 175.0174 165 L 5.2644 8.6806 122.6260 52.7352 45.2026 177.7665 166 S 4.1091 9.7654 117.8420 61.6790 62.8758 176.7159 167 E 3.8283 7.9673 118.9608 58.2174 29.2075 178.0092 168 V 4.1729 7.2621 114.0793 62.6266 33.5345 175.3170 169 D 4.6493 8.6231 117.8551 53.3829 41.2302 177.8298 170 G 3.8684 8.9727 106.6952 45.4276 0.0000 173.2745 171 I 4.2872 6.9385 116.8418 60.1333 41.6184 173.3232 172 D 5.0254 8.3939 127.3075 53.4846 41.8158 175.6284 173 Q 4.7305 8.7096 122.7900 55.2730 33.4995 172.7134 174 V 5.0286 8.5895 124.9224 61.2354 34.8304 174.4245 175 S 5.0903 9.0360 120.6374 57.1672 67.3627 172.5439 176 I 4.7476 9.1794 122.5189 60.3274 38.8185 174.4825 177 H 5.8316 9.1122 124.4728 53.1591 31.6330 174.0674 178 E 4.6336 8.7126 123.8365 55.3294 31.3578 176.2785 179 K 4.1505 8.3597 121.2820 56.4558 32.3394 175.8622 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 4.36 0.00 2.11 2.25 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.55 0.00 2 Q 8.63 3.62 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 7.09 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 3 K 8.61 3.93 0.00 1.72 1.93 0.00 2.00 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.42 7.81 4 A 7.30 4.33 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 5 V 8.40 4.43 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 0.87 0.00 0.00 1.02 0.00 0.00 6 V 8.27 4.27 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 0.98 0.00 0.00 7 M 7.69 4.66 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.53 0.00 8 D 8.39 5.21 0.00 2.88 2.81 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 9 E 8.72 3.91 0.00 2.04 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 2.37 2.52 0.00 10 Q 8.12 3.90 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 11 A 8.57 4.01 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 12 I 7.81 3.63 2.01 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 1.41 0.96 0.91 0.00 0.00 13 R 8.06 3.88 0.00 2.00 2.06 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 1.63 1.68 0.00 14 R 8.12 4.02 0.00 1.92 1.96 0.00 3.18 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 15 A 8.14 3.96 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 16 L 8.04 3.94 0.00 1.71 1.72 0.92 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 17 T 7.76 3.87 4.40 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 1.27 0.00 0.00 18 R 7.88 3.89 0.00 1.98 2.11 0.00 3.34 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 19 I 7.96 3.60 1.97 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 1.51 0.59 0.72 0.00 0.00 20 A 7.88 3.82 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 21 H 8.05 4.14 0.00 3.38 3.36 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.42 4.08 0.00 2.16 2.32 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 2.46 2.43 0.00 23 I 7.51 3.40 1.74 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.26 0.77 0.00 0.00 24 I 7.41 3.70 1.98 0.00 0.00 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 1.35 0.72 0.95 0.00 0.00 25 E 8.24 3.93 0.00 2.18 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 2.35 2.35 0.00 26 R 8.41 4.33 0.00 2.20 2.12 0.00 3.20 0.00 0.00 3.18 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 27 N 7.56 4.87 0.00 2.97 2.85 0.00 0.00 7.16 7.49 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 28 K 8.73 3.66 0.00 1.88 1.82 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.38 7.81 29 G 7.83 3.84 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 0.00 0.00 0.00 30 I 8.16 4.18 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 1.29 0.80 0.88 0.00 0.00 31 D 7.95 4.46 0.00 2.66 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 32 G 9.08 3.93 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 0.00 0.00 0.00 33 C 7.75 4.95 0.00 2.98 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 34 V 8.45 4.56 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 0.98 0.00 0.00 0.97 0.00 0.00 35 L 8.87 4.93 0.00 1.52 1.48 0.89 0.83 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 36 V 8.46 4.32 1.85 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 0.52 0.00 0.00 0.10 0.00 0.00 37 G 8.49 4.07 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 0.00 0.00 0.00 38 I 8.65 4.00 1.87 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 1.23 0.93 0.92 0.00 0.00 39 K 8.14 4.24 0.00 2.07 1.93 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.40 7.81 40 T 7.72 3.77 4.32 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 1.45 0.00 0.00 41 R 8.14 4.46 0.00 1.92 2.07 0.00 3.16 0.00 0.00 3.44 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.80 0.00 42 G 7.53 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 43 I 7.51 3.60 1.51 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 1.48 0.72 0.65 0.00 0.00 44 Y 7.49 4.18 0.00 3.18 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 45 L 8.07 4.01 0.00 1.89 1.73 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.96 3.98 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 47 R 7.98 3.84 0.00 2.10 2.00 0.00 3.15 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 48 R 8.09 3.94 0.00 2.01 1.98 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.99 0.00 49 L 8.37 3.92 0.00 1.76 1.63 0.86 0.61 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 50 A 8.17 3.91 1.36 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 0.00 0.00 51 E 8.58 3.86 0.00 2.10 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 2.29 2.34 0.00 52 R 8.24 3.85 0.00 1.93 1.90 0.00 3.33 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.79 0.00 53 I 7.87 3.88 2.00 0.00 0.00 0.76 0.00 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0.00 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 2.41 0.00 98 R 7.69 4.65 0.00 1.97 1.94 0.00 3.40 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 99 N 9.64 4.93 0.00 2.65 2.75 0.00 0.00 7.17 7.59 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 0.00 100 V 8.72 4.32 2.12 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 0.81 0.00 0.00 1.01 0.00 0.00 101 I 8.72 4.87 1.85 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 1.33 0.64 0.95 0.00 0.00 102 L 8.84 4.58 0.00 1.61 1.58 0.94 0.89 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 0.00 103 V 8.65 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 1.08 0.00 0.00 0.89 0.00 0.00 104 D 9.01 5.15 0.00 2.77 2.45 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 0.00 105 D 8.82 4.47 0.00 2.78 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 2.85 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 0.00 123 L 7.58 4.44 0.00 1.72 1.56 0.65 0.62 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 0.00 124 G 6.93 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 0.00 0.00 0.00 125 R 7.44 4.62 0.00 1.97 1.81 0.00 3.15 0.00 0.00 3.22 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 126 P 0.00 4.91 0.00 2.15 2.15 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 127 A 8.71 4.30 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 R 7.43 4.47 0.00 1.85 1.99 0.00 2.92 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 129 I 8.49 5.04 1.89 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 1.38 0.71 0.97 0.00 0.00 130 Q 9.35 4.94 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 131 L 9.45 5.16 0.00 1.69 1.47 0.95 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 132 A 9.45 5.53 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 0.00 133 V 8.97 5.57 2.12 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 0.88 0.00 0.00 1.03 0.00 0.00 134 L 8.71 4.18 0.00 1.79 1.90 0.93 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.04 5.57 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 0.65 0.00 0.00 0.92 0.00 0.00 136 D 8.80 5.30 0.00 2.74 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 0.00 137 R 8.34 5.03 0.00 1.78 1.93 0.00 2.82 0.00 0.00 2.25 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.45 0.00 138 G 8.87 3.77 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 0.00 0.00 0.00 139 H 8.56 4.16 0.00 3.76 3.50 0.00 5.63 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.96 4.49 0.00 2.02 1.95 0.00 2.84 0.00 0.00 2.25 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 141 E 9.06 4.61 0.00 1.79 1.90 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 2.13 2.07 0.00 142 L 7.34 4.81 0.00 1.55 1.49 0.93 1.04 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 0.00 143 P 0.00 4.62 0.00 2.17 2.08 0.00 3.69 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 144 I 7.28 4.57 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 1.41 0.68 0.92 0.00 0.00 145 R 8.27 4.64 0.00 1.71 1.75 0.00 3.36 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 146 A 8.37 4.26 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 0.00 147 D 8.69 4.35 0.00 2.00 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 0.00 0.00 0.00 148 F 7.86 4.90 0.00 3.00 2.87 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 0.00 149 V 8.56 4.71 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 0.84 0.00 0.00 0.95 0.00 0.00 150 G 9.22 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 0.00 151 K 8.20 4.71 0.00 1.83 1.61 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.43 7.81 152 N 8.79 5.00 0.00 2.65 2.75 0.00 0.00 6.73 7.68 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 0.00 153 V 8.80 4.26 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 0.97 0.00 0.00 0.93 0.00 0.00 154 P 0.00 4.74 0.00 1.97 1.98 0.00 3.76 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 2.03 2.10 0.00 155 T 8.15 4.70 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 1.23 0.00 0.00 156 S 9.04 4.69 0.00 4.02 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 0.00 157 R 8.44 3.87 0.00 1.72 2.00 0.00 3.37 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 158 S 7.49 4.28 0.00 3.90 3.99 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 0.00 159 E 7.50 4.51 0.00 1.86 1.90 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 2.61 2.29 0.00 160 L 8.82 4.78 0.00 1.53 1.42 1.01 1.11 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 0.00 161 I 8.14 4.85 1.76 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 1.08 0.75 0.87 0.00 0.00 162 V 8.70 4.27 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 0.85 0.00 0.00 0.56 0.00 0.00 163 V 8.46 4.80 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 0.87 0.00 0.00 0.93 0.00 0.00 164 E 9.68 5.03 0.00 1.96 1.85 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 2.18 2.23 0.00 165 L 8.68 5.26 0.00 1.45 1.58 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 166 S 9.77 4.11 0.00 3.90 4.09 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 0.00 0.00 0.00 0.00 167 E 7.97 3.83 0.00 1.16 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 2.26 2.25 0.00 168 V 7.26 4.17 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 0.83 0.00 0.00 0.81 0.00 0.00 169 D 8.62 4.65 0.00 2.73 2.61 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 0.00 0.00 0.00 0.00 170 G 8.97 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 0.00 171 I 6.94 4.29 1.85 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 1.21 0.59 0.93 0.00 0.00 172 D 8.39 5.03 0.00 2.57 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 0.00 173 Q 8.71 4.73 0.00 2.03 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.19 2.22 0.00 174 V 8.59 5.03 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 0.94 0.00 0.00 0.93 0.00 0.00 175 S 9.04 5.09 0.00 4.01 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 0.00 176 I 9.18 4.75 1.86 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 1.21 1.00 0.90 0.00 0.00 177 H 9.11 5.83 0.00 3.03 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 E 8.71 4.63 0.00 1.95 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 2.28 2.37 0.00 179 K 8.36 4.15 0.00 1.92 1.66 0.00 1.76 0.00 0.00 1.75 0.00 0.00 3.12 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.49 7.81 * Residues marked with a * may have inaccurate shift predictions.