NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.3512 8.1227 123.5887 51.8500 20.6139 178.7447 2 L 3.9381 8.0621 124.0683 59.4513 41.9783 176.9332 3 R 4.0411 8.7949 118.7094 58.8332 30.5779 178.1872 4 D 4.3577 7.9259 118.7489 57.3983 40.7355 178.7001 5 R 4.0841 7.7649 117.3896 59.2619 30.4821 179.0163 6 V 3.2777 7.7043 117.9965 65.5976 31.2409 177.9857 7 K 3.9021 7.5424 118.7707 59.3444 31.8627 178.5094 8 K 4.2211 7.7169 116.5777 56.8382 31.9814 176.7415 9 L 4.4847 7.0485 121.7454 55.2032 42.3941 176.3086 10 K 4.6028 9.3996 124.4444 56.2096 35.7430 175.8342 11 L 4.9897 7.7530 121.5767 53.1857 45.7750 174.3726 12 L 5.1705 9.1662 128.8114 53.5826 44.4922 175.7252 13 I 5.2200 8.7547 127.1935 59.0803 40.1478 174.4931 *15 D 4.7425 8.3393 122.0009 54.7303 41.7348 175.9408 16 I 4.0428 7.5264 120.9874 63.8464 37.7965 175.9635 17 D 4.6056 7.8436 120.4711 55.7266 40.6077 176.8983 18 G 4.5810 8.9837 113.5095 46.2463 0.0000 174.7085 19 V 4.1055 7.6341 116.7168 63.5659 33.4746 175.8509 20 L 4.6411 8.5228 116.4452 54.8245 42.6848 175.8415 21 T 4.7802 7.3838 114.7580 61.9988 72.5646 173.8129 22 D 4.5640 8.6826 120.9388 53.8392 39.9707 177.5206 23 G 3.9911 8.2286 108.6818 45.1681 0.0000 173.9848 24 K 3.9800 7.8722 119.7040 55.9201 32.5473 176.0532 25 L 4.6263 8.1839 124.8935 53.3777 43.6088 174.8663 26 Y 4.5767 8.7194 124.1613 56.7730 39.0372 174.3910 27 Y 4.7460 8.6142 125.0837 56.0225 41.9408 174.2266 28 T 4.3487 8.1142 119.4283 62.9983 69.7309 174.1171 *34 I 3.9412 7.4739 112.3848 60.4429 38.6230 175.0157 35 K 4.3488 8.4756 122.8310 55.7331 32.9884 176.7198 36 V 4.3529 8.3960 115.7324 59.6735 33.3283 174.8643 37 F 5.0402 8.6774 126.6494 56.1041 41.7368 173.8743 38 N 4.4820 7.4565 124.8808 52.0301 39.6175 176.3137 39 V 3.6229 8.0979 126.3949 64.6333 31.4775 178.2992 40 L 4.0038 7.8823 119.7481 57.6909 41.5063 178.9797 41 D 4.5262 7.7028 118.9085 56.9519 40.6003 179.1168 42 G 3.7869 7.7355 106.0005 48.0348 0.0000 175.7509 43 I 3.8817 7.7472 122.4472 63.7479 37.0571 178.7774 44 G 3.6358 8.5352 107.0788 47.8682 0.0000 175.5673 45 I 3.7431 8.2086 122.9119 64.2335 37.2360 178.6717 46 K 4.1592 8.0634 119.0797 59.3322 31.6194 179.2613 47 L 3.9382 7.8511 119.7325 57.9690 42.4576 178.5812 48 L 4.1274 7.9040 118.9638 58.0069 41.3869 179.3792 49 Q 4.0689 7.7239 116.3007 58.8139 28.9527 181.0948 50 K 4.3506 7.7740 119.5094 55.6934 32.0102 177.6384 *52 G 3.7680 7.9843 104.4208 45.3905 0.0000 173.0793 53 I 4.5663 7.4130 120.7866 59.3105 38.7499 176.1432 54 T 4.0674 8.8983 125.5320 63.4355 69.5260 173.5290 55 L 5.1754 8.4829 125.7116 53.1344 43.6713 175.7013 56 A 5.1406 8.9301 124.5582 50.2403 23.1625 175.0165 57 V 4.6932 8.8776 112.1818 59.5444 35.8527 175.0258 58 I 5.0686 8.4407 124.0738 59.9863 39.4237 174.6536 59 S 4.8642 9.4944 123.0809 56.3762 67.5220 174.9182 60 G 4.0023 8.0484 107.5996 44.5041 0.0000 174.0190 *63 S 4.4120 8.0139 113.5013 57.6638 65.6306 175.9654 64 A 3.8656 8.1237 123.4843 54.6912 17.8603 177.4483 65 P 4.1495 0.0000 0.0000 65.8954 31.3160 178.0467 66 L 4.0706 7.8157 118.9274 56.7340 42.1886 178.3654 67 I 3.6705 7.2200 119.8580 64.5905 37.0263 178.1194 68 T 3.8148 7.3780 115.8798 66.8116 68.1951 176.7003 69 R 3.7066 7.1894 116.6973 59.1772 29.9847 179.0084 70 L 3.9086 7.7413 118.6107 57.8703 41.6095 179.7378 71 K 4.2728 8.1293 119.7864 59.0764 31.7804 179.2184 72 E 4.1186 8.0232 117.3748 58.3921 29.4418 178.2817 73 L 4.5173 7.1163 117.2740 53.7186 42.3956 176.8961 74 G 3.9823 7.1931 105.3885 45.1949 0.0000 173.9021 75 V 4.0885 8.3554 121.6807 61.4766 31.4512 175.8381 76 E 4.4283 8.5733 124.8535 56.5682 31.6574 176.2119 77 E 4.2924 8.0107 120.8889 55.7229 28.8413 173.8104 78 I 4.8810 7.7555 123.7749 59.1120 40.5581 174.0025 79 Y 4.8947 9.1061 124.8120 56.3189 40.7212 175.0123 80 T 4.9050 7.7513 112.6862 59.2953 72.2580 172.6621 81 G 3.7104 9.0890 110.4578 45.8288 0.0000 172.0076 82 S 4.3032 7.4324 115.1838 57.9862 66.2339 175.3953 *84 K 4.0983 8.3310 120.5206 54.9713 31.6332 171.3978 85 K 4.6323 8.0289 123.2574 55.0503 34.0317 177.6642 86 L 3.9836 7.8565 121.0853 58.2477 41.9562 178.3067 87 E 4.0246 8.1396 118.9549 59.0608 29.7281 178.4869 88 I 3.7228 7.6866 112.6367 63.6035 37.2107 177.5126 89 Y 4.0987 7.9868 121.8067 60.7964 38.5826 177.7832 90 E 3.7425 8.1795 119.4404 58.8405 29.4356 179.2711 91 K 3.8964 7.7776 119.5176 59.6634 32.3992 178.9536 92 I 3.9269 7.6286 120.0590 64.1802 37.1344 178.2578 93 K 3.8027 7.9460 120.5907 59.4215 31.8321 178.4213 94 E 3.8694 8.3872 119.7538 59.2996 29.4221 178.6575 95 K 3.8150 8.3102 118.5919 58.9368 32.3029 177.2505 96 Y 4.3859 7.8083 113.6864 56.3992 39.7594 175.3547 97 S 3.7365 7.6194 115.5562 59.9877 60.7100 171.5145 98 L 4.9993 7.7596 117.7757 52.8069 45.5188 177.3670 99 K 4.4563 9.1023 121.0265 55.1395 33.7165 177.9008 100 D 4.7011 9.0464 119.1222 57.0200 40.7122 179.1781 101 E 4.1796 8.1840 114.9064 58.3503 30.0100 177.1138 102 E 4.6113 8.0859 117.4709 55.9322 30.4481 175.3197 103 I 5.0543 7.6023 120.1843 59.5709 40.2772 174.7524 104 G 4.7945 9.4136 111.5583 44.6181 0.0000 171.4396 105 F 5.1032 9.1120 123.1883 56.3331 42.8752 173.1992 106 I 4.6416 8.6954 128.1647 59.8749 38.3942 174.8345 107 G 4.5219 9.3723 117.5521 44.8692 0.0000 172.2978 108 D 4.9085 9.1590 115.5944 52.9932 43.3967 174.6050 109 D 5.3215 8.7187 118.1768 51.9776 43.6492 176.9853 110 V 3.6334 8.2409 116.7706 64.1220 31.8056 178.8806 111 V 3.6458 7.8501 119.0911 65.5366 31.4762 177.4434 112 D 4.1845 8.1437 119.6188 56.3296 40.2636 178.5468 113 I 3.6377 6.9679 119.6299 64.3535 37.5470 177.6895 114 E 4.0589 7.9437 118.7654 59.2006 29.3233 180.3503 115 V 3.2168 6.8381 115.1966 62.9326 30.7957 177.7440 *117 K 4.2172 8.1257 119.1256 55.9168 33.9182 177.7279 118 K 4.0986 7.5285 116.0489 59.3165 32.1870 178.3982 119 V 4.0924 7.3110 110.5044 61.4035 32.0189 176.6276 120 G 3.7487 8.6977 109.7595 48.2487 0.0000 174.0077 121 F 5.2747 8.4262 123.1248 55.6134 39.1164 171.5258 122 P 5.0560 0.0000 0.0000 61.9779 33.3662 176.3122 123 V 4.8094 9.3597 123.9398 60.8543 34.6278 173.9442 124 A 5.4092 8.9996 128.6016 49.1852 22.3009 176.0863 125 V 4.4440 8.0794 119.1877 60.1160 33.1679 176.9831 126 R 3.7555 8.0869 123.1971 59.4576 29.8206 177.2362 127 N 4.7652 7.9255 111.1702 52.2833 37.6118 174.7254 128 A 4.1463 7.5826 121.7160 52.0623 19.1995 178.7775 129 V 3.7155 8.2000 119.9625 61.7051 32.2137 176.9351 130 E 3.8777 8.9016 122.5064 59.6189 29.1687 178.7599 131 E 3.9440 8.2399 117.2001 59.8157 29.6491 179.2452 132 V 3.7335 7.8150 117.8319 65.9018 31.4767 178.3664 133 R 3.8856 7.8445 117.3543 59.0258 29.6689 178.8368 134 K 3.9334 8.3730 118.1706 58.6152 32.0048 177.8548 135 V 4.1319 7.1945 115.9975 62.1950 31.5473 174.6693 136 A 4.8515 7.3611 121.0013 50.3005 20.7311 177.9266 137 V 4.0539 8.3699 120.8385 63.2781 32.7243 175.8541 138 Y 4.8294 7.5734 122.3274 56.0112 42.3586 173.3059 139 I 4.6972 7.5471 127.0859 59.3343 39.2997 175.7643 140 T 3.9866 8.3670 117.9407 61.6834 69.4847 175.4511 141 Q 4.0094 9.5806 124.4597 58.3251 29.5778 176.9013 142 R 4.3825 8.2597 117.4168 55.6392 30.8883 177.3662 143 N 4.3669 9.3624 120.4416 56.1317 39.3038 175.2606 144 G 3.9310 7.6065 110.5212 44.8172 0.0000 173.8723 145 G 4.1777 8.7301 109.0996 44.6199 0.0000 173.4424 146 E 4.2969 7.8329 116.4132 55.5301 30.8482 177.0211 147 G 4.5491 8.0834 109.2695 45.4271 0.0000 176.3601 148 A 4.0411 8.3717 123.9931 54.5712 18.5256 179.5719 149 L 3.9424 7.9845 118.6187 58.2565 42.2327 178.8882 150 R 3.9001 8.1756 118.2713 59.4215 29.9699 177.8834 151 E 4.2282 7.9563 120.0603 58.7583 29.6267 179.0471 152 V 3.6849 7.8537 117.7383 65.8471 31.6897 177.9491 153 A 4.0162 7.9663 120.5352 55.0838 17.7983 179.3473 154 E 3.9394 8.5483 117.5524 59.4741 29.4865 179.2960 155 L 3.9520 7.6875 119.7512 58.3603 41.9277 178.9763 156 I 3.5530 7.4722 118.1862 64.6962 36.7842 177.6599 157 H 4.2976 8.2177 118.7941 59.1017 29.5232 177.1322 158 F 4.0128 8.7555 122.8997 61.2258 39.1322 176.6244 159 L 4.1765 8.2554 118.2298 56.3450 41.4960 179.6808 160 K 4.0479 7.3394 126.1091 61.7735 31.8654 182.5932 161 N 4.3230 6.9854 120.2109 51.8008 39.4776 175.9997 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 A 8.12 4.35 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 2 L 8.06 3.94 0.00 1.94 1.74 1.20 0.75 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 3 R 8.79 4.04 0.00 1.91 1.95 0.00 3.18 0.00 0.00 3.34 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.75 0.00 4 D 7.93 4.36 0.00 2.90 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 5 R 7.76 4.08 0.00 2.12 2.22 0.00 3.28 0.00 0.00 3.43 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 6 V 7.70 3.28 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.53 0.00 0.00 7 K 7.54 3.90 0.00 1.84 1.96 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.45 7.81 8 K 7.72 4.22 0.00 1.99 1.84 0.00 1.74 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.60 7.81 9 L 7.05 4.48 0.00 1.60 1.62 1.05 0.11 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 10 K 9.40 4.60 0.00 1.65 1.76 0.00 1.76 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.49 7.81 11 L 7.75 4.99 0.00 1.54 1.40 0.23 0.42 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 12 L 9.17 5.17 0.00 1.76 1.49 1.08 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.75 5.22 1.75 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.65 0.80 0.00 0.00 *15 D 8.34 4.74 0.00 2.71 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 16 I 7.53 4.04 1.91 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 1.33 1.19 0.97 0.00 0.00 17 D 7.84 4.61 0.00 2.70 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 18 G 8.98 4.58 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 0.00 0.00 0.00 19 V 7.63 4.11 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 0.88 0.00 0.00 0.99 0.00 0.00 20 L 8.52 4.64 0.00 1.86 1.78 0.95 1.14 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 21 T 7.38 4.78 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 1.31 0.00 0.00 22 D 8.68 4.56 0.00 2.77 2.80 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 23 G 8.23 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 0.00 0.00 0.00 24 K 7.87 3.98 0.00 1.77 1.35 0.00 1.77 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.38 1.44 7.81 25 L 8.18 4.63 0.00 1.56 1.53 1.02 1.00 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 26 Y 8.72 4.58 0.00 3.23 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.61 4.75 0.00 2.87 2.75 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 28 T 8.11 4.35 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 *34 I 7.47 3.94 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.85 0.90 0.00 0.00 35 K 8.48 4.35 0.00 2.05 1.82 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.02 7.81 36 V 8.40 4.35 2.13 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 0.67 0.00 0.00 1.09 0.00 0.00 37 F 8.68 5.04 0.00 2.87 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.46 4.48 0.00 2.54 2.51 0.00 0.00 6.83 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 39 V 8.10 3.62 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 0.74 0.00 0.00 0.98 0.00 0.00 40 L 7.88 4.00 0.00 1.82 1.71 0.88 0.80 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 41 D 7.70 4.53 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 42 G 7.74 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 43 I 7.75 3.88 2.00 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 1.66 1.09 0.91 0.00 0.00 44 G 8.54 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 45 I 8.21 3.74 2.14 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.04 0.95 0.00 0.00 46 K 8.06 4.16 0.00 1.96 1.87 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.61 7.81 47 L 7.85 3.94 0.00 1.70 1.85 0.80 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.90 4.13 0.00 1.91 1.70 0.97 0.86 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 49 Q 7.72 4.07 0.00 2.22 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.65 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 50 K 7.77 4.35 0.00 1.91 1.83 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.65 7.81 *52 G 7.98 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 53 I 7.41 4.57 1.97 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 1.18 0.64 0.93 0.00 0.00 54 T 8.90 4.07 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 0.90 0.00 0.00 55 L 8.48 5.18 0.00 1.51 1.59 0.94 0.74 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 56 A 8.93 5.14 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 57 V 8.88 4.69 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 0.80 0.00 0.00 0.99 0.00 0.00 58 I 8.44 5.07 2.01 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.67 1.01 0.00 0.00 59 S 9.49 4.86 0.00 3.83 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 60 G 8.05 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *63 S 8.01 4.41 0.00 4.07 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 0.00 64 A 8.12 3.87 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 65 P 0.00 4.15 0.00 2.29 2.34 0.00 3.68 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 66 L 7.82 4.07 0.00 1.81 1.71 0.94 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.22 3.67 1.85 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 1.81 0.80 0.89 0.00 0.00 68 T 7.38 3.81 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 1.23 0.00 0.00 69 R 7.19 3.71 0.00 1.73 1.34 0.00 3.17 0.00 0.00 2.91 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 70 L 7.74 3.91 0.00 1.78 1.70 0.96 0.98 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 71 K 8.13 4.27 0.00 1.90 1.83 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.49 7.81 72 E 8.02 4.12 0.00 2.08 1.97 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 2.31 2.49 0.00 73 L 7.12 4.52 0.00 1.68 1.72 0.94 0.96 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 74 G 7.19 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 75 V 8.36 4.09 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 1.00 0.00 0.00 0.95 0.00 0.00 76 E 8.57 4.43 0.00 2.07 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 0.00 2.19 2.29 0.00 77 E 8.01 4.29 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.81 0.00 78 I 7.76 4.88 1.81 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 1.35 0.79 0.90 0.00 0.00 79 Y 9.11 4.89 0.00 3.02 2.89 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 80 T 7.75 4.90 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 81 G 9.09 3.71 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 0.00 0.00 0.00 82 S 7.43 4.30 0.00 4.20 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 *84 K 8.33 4.10 0.00 1.82 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 85 K 8.03 4.63 0.00 1.70 1.87 0.00 1.86 0.00 0.00 1.92 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.46 7.81 86 L 7.86 3.98 0.00 1.69 1.68 0.92 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 87 E 8.14 4.02 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 88 I 7.69 3.72 1.26 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 1.54 0.47 0.91 0.00 0.00 89 Y 7.99 4.10 0.00 3.07 3.27 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 90 E 8.18 3.74 0.00 2.16 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 2.65 2.48 0.00 91 K 7.78 3.90 0.00 2.01 1.98 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.36 7.81 92 I 7.63 3.93 1.88 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 1.57 0.92 1.05 0.00 0.00 93 K 7.95 3.80 0.00 1.38 1.75 0.00 1.30 0.00 0.00 1.48 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.35 1.43 7.81 94 E 8.39 3.87 0.00 2.16 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 2.29 2.34 0.00 95 K 8.31 3.81 0.00 1.80 2.04 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.66 1.21 7.81 96 Y 7.81 4.39 0.00 3.16 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 97 S 7.62 3.74 0.00 3.97 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.76 5.00 0.00 1.66 1.56 0.93 0.69 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 99 K 9.10 4.46 0.00 1.85 1.77 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.46 7.81 100 D 9.05 4.70 0.00 2.81 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 0.00 101 E 8.18 4.18 0.00 2.12 2.13 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 2.31 2.36 0.00 102 E 8.09 4.61 0.00 2.12 2.03 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 2.29 2.26 0.00 103 I 7.60 5.05 2.11 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 1.35 1.02 1.22 0.00 0.00 104 G 9.41 4.79 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 0.00 105 F 9.11 5.10 0.00 3.05 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 0.00 106 I 8.70 4.64 1.90 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 1.16 1.02 0.93 0.00 0.00 107 G 9.37 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 9.16 4.91 0.00 2.85 2.62 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 0.00 109 D 8.72 5.32 0.00 2.66 2.56 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 0.00 110 V 8.24 3.63 2.05 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 0.76 0.00 0.00 0.92 0.00 0.00 111 V 7.85 3.65 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.94 0.00 0.00 112 D 8.14 4.18 0.00 2.72 2.30 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 0.00 113 I 6.97 3.64 1.93 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 1.45 0.39 0.84 0.00 0.00 114 E 7.94 4.06 0.00 1.85 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 2.32 2.26 0.00 115 V 6.84 3.22 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 0.06 0.00 0.00 0.64 0.00 0.00 *117 K 8.13 4.22 0.00 1.92 1.84 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.44 1.35 7.81 118 K 7.53 4.10 0.00 1.84 1.90 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.38 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.49 1.36 7.81 119 V 7.31 4.09 2.37 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 0.62 0.00 0.00 0.97 0.00 0.00 120 G 8.70 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 0.00 0.00 0.00 121 F 8.43 5.27 0.00 3.08 2.99 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 0.00 122 P 0.00 5.06 0.00 2.32 2.12 0.00 3.35 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 123 V 9.36 4.81 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 1.01 0.00 0.00 0.57 0.00 0.00 124 A 9.00 5.41 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 0.00 125 V 8.08 4.44 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 1.20 0.00 0.00 1.02 0.00 0.00 126 R 8.09 3.76 0.00 1.95 2.21 0.00 3.40 0.00 0.00 3.40 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 127 N 7.93 4.77 0.00 2.84 2.99 0.00 0.00 5.97 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 0.00 128 A 7.58 4.15 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 8.20 3.72 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 0.69 0.00 0.00 0.92 0.00 0.00 130 E 8.90 3.88 0.00 2.07 1.97 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 2.36 2.45 0.00 131 E 8.24 3.94 0.00 1.95 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 2.30 2.32 0.00 132 V 7.81 3.73 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 1.02 0.00 0.00 0.91 0.00 0.00 133 R 7.84 3.89 0.00 1.98 1.91 0.00 3.13 0.00 0.00 3.45 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.94 0.00 134 K 8.37 3.93 0.00 1.86 1.85 0.00 1.78 0.00 0.00 1.61 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.54 7.81 135 V 7.19 4.13 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 0.69 0.00 0.00 0.88 0.00 0.00 136 A 7.36 4.85 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 0.00 137 V 8.37 4.05 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 0.55 0.00 0.00 0.99 0.00 0.00 138 Y 7.57 4.83 0.00 2.91 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 0.00 139 I 7.55 4.70 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 1.27 0.60 0.76 0.00 0.00 140 T 8.37 3.99 4.52 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 1.38 0.00 0.00 141 Q 9.58 4.01 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 142 R 8.26 4.38 0.00 1.89 1.81 0.00 3.33 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.83 0.00 143 N 9.36 4.37 0.00 2.99 2.87 0.00 0.00 6.78 8.36 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 0.00 144 G 7.61 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 0.00 145 G 8.73 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 0.00 0.00 0.00 146 E 7.83 4.30 0.00 1.95 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 2.24 2.28 0.00 147 G 8.08 4.55 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 0.00 0.00 0.00 148 A 8.37 4.04 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.98 3.94 0.00 1.70 1.90 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 150 R 8.18 3.90 0.00 2.12 2.08 0.00 3.35 0.00 0.00 3.36 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 151 E 7.96 4.23 0.00 2.12 2.20 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 2.51 2.28 0.00 152 V 7.85 3.68 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 1.20 0.00 0.00 1.14 0.00 0.00 153 A 7.97 4.02 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 0.00 154 E 8.55 3.94 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.55 0.00 155 L 7.69 3.95 0.00 1.76 1.80 0.66 0.57 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 0.00 156 I 7.47 3.55 1.95 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.54 0.80 0.00 0.00 157 H 8.22 4.30 0.00 3.29 3.51 0.00 5.78 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 F 8.76 4.01 0.00 3.21 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 0.00 159 L 8.26 4.18 0.00 1.78 1.68 1.19 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 160 K 7.34 4.05 0.00 1.88 1.72 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.32 7.81 161 N 6.99 4.32 0.00 2.91 2.89 0.00 0.00 7.01 7.44 0.00 0.00 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.