NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *8 N 4.7446 8.2827 117.7897 52.1127 40.0777 174.4357 9 V 3.4773 8.1890 119.2069 64.4951 31.6287 173.3825 10 V 3.6450 8.5707 119.6622 64.4206 31.8103 177.6891 11 K 3.9166 7.9574 118.8014 59.6527 32.0239 178.6644 12 D 4.3995 8.3007 118.9407 57.4117 40.6989 179.0891 13 K 4.0378 8.2867 119.2753 59.5295 32.1031 179.5863 14 S 4.2361 8.4438 114.7408 61.2433 62.9055 176.6651 15 L 4.1295 7.9420 122.4334 57.7340 41.5089 179.1731 16 E 4.0047 8.3146 118.5806 59.3132 29.3744 179.2693 17 F 4.1317 8.6099 120.6705 61.1505 39.4176 176.7905 18 A 3.9054 8.4802 120.9372 55.3317 18.1286 179.6615 19 V 3.4805 7.7303 116.4225 66.3736 31.5099 178.4513 20 R 3.8638 7.7483 117.3803 59.2898 29.7917 179.2038 21 I 3.5727 7.4987 119.6522 64.0610 37.0361 178.5480 22 V 3.6050 7.9057 119.3359 66.2371 31.3832 177.9415 23 N 4.4202 8.2892 116.1825 56.0053 38.2687 177.1843 24 L 4.0032 8.2904 122.3162 58.2179 42.1225 178.1873 25 Y 4.0189 8.4367 119.8775 60.9313 38.6190 178.4916 26 K 3.8784 8.1699 119.1527 59.2538 32.0716 179.1717 27 F 4.0856 8.3100 120.9094 61.2990 39.2867 177.2428 28 L 3.6364 8.1663 118.9890 57.5098 41.2258 179.7988 29 V 3.0189 7.3881 119.7196 65.4294 31.2971 177.8355 30 N 4.3244 7.9428 114.7428 55.0681 38.5915 176.1013 31 E 4.1752 7.7010 118.4995 57.9620 30.4180 177.1043 32 Q 4.0727 7.3704 113.7160 55.0544 29.7012 175.3165 33 K 3.5515 7.4175 115.9270 56.2818 29.5901 174.8271 34 E 4.2860 7.5984 118.2793 54.2828 31.9614 175.5714 35 F 4.7832 8.4879 122.0454 56.3919 41.5185 176.4936 36 V 4.1592 8.0465 119.8230 62.9322 31.2875 177.0315 *38 S 4.2915 7.9699 113.9822 58.5212 64.8755 175.8044 39 K 3.9417 7.5889 121.9649 59.0914 31.8206 178.5737 40 Q 3.7277 7.5480 118.1323 59.0588 28.4950 178.8929 41 I 3.9117 7.1100 120.1233 62.8101 38.1748 177.2842 42 L 3.8361 8.0859 121.8604 58.0992 41.8341 178.8924 43 R 3.8050 7.7791 118.5419 59.4671 30.0814 178.5514 44 S 4.5546 7.7442 115.4634 61.1128 62.8027 176.6921 45 G 3.8835 8.4955 109.1240 46.9332 0.0000 175.1710 46 T 4.2853 7.9320 111.0076 63.5782 69.2290 177.2144 47 S 4.1928 8.1941 118.2146 61.0030 62.7230 176.2890 48 I 3.8045 7.5167 121.8593 64.6157 36.9611 178.6299 49 G 3.6609 8.1477 105.5795 46.8969 0.0000 175.3315 50 A 4.0393 7.7745 122.8444 55.2837 18.3726 179.5567 51 N 4.3476 8.4355 115.0606 56.2910 38.6280 177.8220 52 I 3.6599 7.7791 121.4593 64.2275 36.9534 178.3453 53 R 3.9126 7.8495 118.4490 59.5191 30.2194 178.0003 54 E 4.0971 8.2730 118.0861 59.3213 29.4665 178.9331 55 A 4.0143 8.3345 121.1652 55.6421 18.1835 179.6363 56 E 4.1705 7.9816 114.6767 59.1521 29.5639 178.6335 57 Q 4.3783 7.7198 115.3996 54.8573 29.4730 175.9211 58 A 4.3034 7.5025 123.8705 52.5548 18.9100 177.8613 59 Q 4.4607 8.5572 118.7646 56.1804 29.6674 176.2291 60 S 4.6994 7.4283 112.6633 55.6693 67.3531 174.6864 61 R 3.9060 8.5653 122.0643 59.5287 29.8066 178.4146 62 A 4.0262 8.0437 120.1212 55.4295 18.4133 179.0065 63 D 4.2632 8.3231 116.4530 57.0909 41.2865 177.9672 64 F 4.1795 8.4179 121.3541 61.6551 39.3625 177.2721 65 I 3.5610 8.3200 119.6063 64.1644 36.8416 177.8516 66 N 4.2456 8.3900 118.1244 56.8474 38.7210 177.1200 67 K 3.9667 8.1139 119.7155 59.3692 32.0387 179.4577 68 L 3.8484 7.7347 119.3912 57.6596 41.3692 179.2176 69 N 4.2935 8.5263 117.0031 56.2372 38.3290 177.5453 70 I 3.6649 7.9656 121.1105 64.2457 37.1401 178.1097 71 A 3.9667 8.1206 121.7911 55.1740 18.0975 179.4482 72 L 3.8190 8.0713 118.7347 58.0781 42.1617 178.8603 73 K 3.8323 8.2834 119.9137 59.8902 31.5500 178.5326 74 E 4.0307 8.5901 118.6819 59.1719 29.3294 179.1922 75 A 4.0388 8.2748 121.0993 55.2796 18.5999 179.4433 76 N 4.5573 8.2970 116.4067 55.8380 38.6081 177.2369 77 E 3.9342 8.3994 120.6984 59.6960 29.8373 178.6775 78 T 4.2147 8.3669 116.0757 67.2823 68.0749 176.2958 79 E 4.2231 8.4429 120.0700 59.2575 29.3374 178.8570 80 Y 3.9860 7.8564 119.3668 60.5439 38.8225 178.0275 81 W 4.2189 7.9731 119.8226 59.7528 29.1457 178.4485 82 L 4.1792 8.4434 119.0844 57.8916 41.1350 179.1870 83 E 3.7013 8.4535 119.2008 59.2114 29.5835 178.6259 84 L 3.8423 7.7935 120.4336 58.0478 42.0762 178.9747 85 L 4.1460 8.2776 119.2934 57.7774 41.5658 179.3311 86 I 3.8718 7.7546 118.6792 64.1117 37.6833 178.1544 87 R 3.9650 7.8042 118.2144 58.5038 29.8301 178.0817 88 T 4.4458 7.5564 107.1147 60.8908 69.1280 174.4999 89 E 3.8052 7.8230 118.5339 58.0268 27.3493 175.2061 90 Y 4.1769 8.1489 119.0231 59.4996 38.3352 175.7766 91 I 4.9706 7.5148 111.2525 58.2886 40.8922 175.5033 92 T 4.2952 8.7721 112.8157 61.0931 70.9159 175.7874 93 R 3.9483 8.4497 121.0371 59.5193 30.0728 178.1469 94 E 3.9347 8.1360 118.6026 59.3409 29.7488 178.5300 95 Q 3.9620 8.1974 118.0920 59.1258 28.8016 178.1954 96 Y 4.1638 8.3271 120.6195 60.9810 38.7792 178.1595 97 E 3.6892 8.5919 119.6980 59.1928 29.4102 179.1911 98 S 4.0435 8.0851 113.0831 61.6009 62.5236 176.3990 99 I 3.8088 7.8364 122.3408 64.4191 36.8009 178.0141 100 N 4.2136 8.5169 118.2143 56.6255 38.6715 176.4998 101 N 4.2288 8.2777 118.1594 56.5746 38.3341 177.1191 102 D 4.3277 7.9321 120.0611 57.1730 40.7748 178.8364 103 S 3.0328 7.9522 113.9183 61.2840 62.4328 176.3996 104 T 4.1311 8.0063 114.1362 63.8875 68.4725 175.8730 105 E 3.8225 8.1136 122.3602 59.5134 29.5358 179.0426 106 I 3.6255 7.2403 119.1364 64.2559 37.1934 177.9072 107 N 4.2335 7.7757 117.2204 56.4340 38.4436 177.5406 108 K 4.0509 7.9020 119.3962 59.5068 32.1805 179.4724 109 L 3.9990 7.9559 119.1888 57.6755 41.4389 179.5791 110 L 3.9277 8.0068 118.8897 57.9419 41.5163 179.6559 111 I 3.6952 7.9562 119.8545 64.5465 36.8929 178.6715 112 S 4.1211 8.1759 115.9381 61.5693 62.3712 176.9693 113 I 3.7725 7.4939 121.6966 64.4625 36.9878 178.2810 114 I 3.9195 7.9795 119.7338 63.6523 37.1074 177.2187 115 K 4.5295 8.2134 115.9737 56.2844 33.1709 176.6505 116 T 4.3689 7.7366 109.2934 62.2388 70.2942 174.8501 *117 T 4.1354 7.8700 118.9361 61.1036 69.1885 179.0155 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 *8 N 8.28 4.74 0.00 2.62 2.75 0.00 0.00 6.40 6.79 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 9 V 8.19 3.48 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 10 V 8.57 3.65 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 0.81 0.00 0.00 0.90 0.00 0.00 11 K 7.96 3.92 0.00 2.06 1.92 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.11 7.81 12 D 8.30 4.40 0.00 2.83 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 13 K 8.29 4.04 0.00 1.90 1.86 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.73 1.58 7.81 14 S 8.44 4.24 0.00 4.09 4.20 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 15 L 7.94 4.13 0.00 1.95 1.77 0.94 0.71 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 16 E 8.31 4.00 0.00 2.24 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 0.00 2.35 2.56 0.00 17 F 8.61 4.13 0.00 3.19 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.48 3.91 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 19 V 7.73 3.48 2.24 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 1.01 0.00 0.00 0.93 0.00 0.00 20 R 7.75 3.86 0.00 1.74 1.81 0.00 3.25 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 21 I 7.50 3.57 1.77 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.39 0.87 0.00 0.00 22 V 7.91 3.61 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.92 0.00 0.00 23 N 8.29 4.42 0.00 2.88 2.84 0.00 0.00 6.69 6.16 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 24 L 8.29 4.00 0.00 1.78 1.83 1.03 0.76 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 25 Y 8.44 4.02 0.00 3.06 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 26 K 8.17 3.88 0.00 2.07 1.87 0.00 1.78 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.77 7.81 27 F 8.31 4.09 0.00 3.10 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 28 L 8.17 3.64 0.00 1.57 1.40 0.88 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.39 3.02 1.60 0.00 0.00 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 0.12 0.00 0.00 30 N 7.94 4.32 0.00 2.74 2.80 0.00 0.00 7.08 8.12 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 31 E 7.70 4.18 0.00 1.27 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.44 0.00 32 Q 7.37 4.07 0.00 2.02 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.79 0.00 0.00 0.00 0.00 0.00 1.44 2.18 0.00 33 K 7.42 3.55 0.00 1.81 1.87 0.00 1.75 0.00 0.00 0.61 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.30 7.81 34 E 7.60 4.29 0.00 1.56 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 1.79 1.47 0.00 35 F 8.49 4.78 0.00 3.05 2.98 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 36 V 8.05 4.16 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.98 0.00 0.00 *38 S 7.97 4.29 0.00 3.88 3.96 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 39 K 7.59 3.94 0.00 1.98 1.97 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.44 7.81 40 Q 7.55 3.73 0.00 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.59 0.00 0.00 0.00 0.00 0.00 2.13 1.68 0.00 41 I 7.11 3.91 1.85 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 1.62 2.48 1.00 0.00 0.00 42 L 8.09 3.84 0.00 1.60 1.58 0.71 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 43 R 7.78 3.81 0.00 1.98 2.01 0.00 3.16 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 44 S 7.74 4.55 0.00 4.43 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 0.00 45 G 8.50 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 T 7.93 4.29 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 47 S 8.19 4.19 0.00 4.15 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 48 I 7.52 3.80 1.98 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.87 0.91 0.00 0.00 49 G 8.15 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 50 A 7.77 4.04 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 51 N 8.44 4.35 0.00 2.83 3.03 0.00 0.00 7.06 6.98 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 52 I 7.78 3.66 2.01 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 1.36 1.04 0.91 0.00 0.00 53 R 7.85 3.91 0.00 1.83 2.17 0.00 3.28 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 54 E 8.27 4.10 0.00 2.22 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 2.34 2.48 0.00 55 A 8.33 4.01 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 56 E 7.98 4.17 0.00 2.21 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 0.00 2.47 2.45 0.00 57 Q 7.72 4.38 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.88 0.00 0.00 0.00 0.00 0.00 2.53 2.53 0.00 58 A 7.50 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 8.56 4.46 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.73 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 60 S 7.43 4.70 0.00 4.00 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 61 R 8.57 3.91 0.00 1.94 1.99 0.00 3.24 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 62 A 8.04 4.03 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 63 D 8.32 4.26 0.00 2.85 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 64 F 8.42 4.18 0.00 3.19 3.26 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 65 I 8.32 3.56 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.78 0.91 0.00 0.00 66 N 8.39 4.25 0.00 2.84 2.98 0.00 0.00 7.24 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 67 K 8.11 3.97 0.00 1.85 1.95 0.00 1.72 0.00 0.00 1.64 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.67 1.62 7.81 68 L 7.73 3.85 0.00 1.57 1.52 0.32 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 69 N 8.53 4.29 0.00 2.91 2.84 0.00 0.00 6.99 6.94 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 70 I 7.97 3.66 1.98 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 1.44 0.92 0.91 0.00 0.00 71 A 8.12 3.97 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 72 L 8.07 3.82 0.00 1.82 1.85 0.89 0.49 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 73 K 8.28 3.83 0.00 1.94 2.02 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.49 7.81 74 E 8.59 4.03 0.00 2.17 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 0.00 2.58 2.50 0.00 75 A 8.27 4.04 1.37 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 76 N 8.30 4.56 0.00 2.89 2.88 0.00 0.00 6.19 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 77 E 8.40 3.93 0.00 2.12 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 0.00 2.73 2.47 0.00 78 T 8.37 4.21 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 1.56 0.00 0.00 79 E 8.44 4.22 0.00 2.24 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.38 0.00 80 Y 7.86 3.99 0.00 2.93 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 81 W 7.97 4.22 0.00 3.68 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 82 L 8.44 4.18 0.00 2.10 2.11 1.09 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.45 3.70 0.00 2.17 1.95 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 2.17 2.17 0.00 84 L 7.79 3.84 0.00 1.24 1.67 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.28 4.15 0.00 2.05 1.85 1.02 0.90 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 86 I 7.75 3.87 1.56 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.02 0.19 0.00 0.00 87 R 7.80 3.96 0.00 1.91 1.93 0.00 3.26 0.00 0.00 3.19 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 88 T 7.56 4.45 4.41 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 1.32 0.00 0.00 89 E 7.82 3.81 0.00 2.02 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 2.18 2.21 0.00 90 Y 8.15 4.18 0.00 3.20 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 91 I 7.51 4.97 2.02 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.78 1.09 0.00 0.00 92 T 8.77 4.30 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 1.26 0.00 0.00 93 R 8.45 3.95 0.00 1.96 2.00 0.00 3.53 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.83 0.00 94 E 8.14 3.93 0.00 2.08 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 2.37 2.40 0.00 95 Q 8.20 3.96 0.00 2.35 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 96 Y 8.33 4.16 0.00 3.05 3.20 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 97 E 8.59 3.69 0.00 2.10 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 0.00 2.40 2.65 0.00 98 S 8.09 4.04 0.00 3.95 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 99 I 7.84 3.81 1.90 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 1.40 0.78 1.03 0.00 0.00 100 N 8.52 4.21 0.00 2.06 2.25 0.00 0.00 7.25 6.80 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 0.00 101 N 8.28 4.23 0.00 2.93 2.82 0.00 0.00 7.03 8.91 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 0.00 102 D 7.93 4.33 0.00 3.04 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 S 7.95 3.03 0.00 3.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 T 8.01 4.13 4.19 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 1.26 0.00 0.00 105 E 8.11 3.82 0.00 2.10 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 0.00 2.26 2.33 0.00 106 I 7.24 3.63 1.79 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.39 0.81 0.00 0.00 107 N 7.78 4.23 0.00 2.88 2.84 0.00 0.00 7.04 8.81 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 0.00 108 K 7.90 4.05 0.00 1.94 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.43 1.63 7.81 109 L 7.96 4.00 0.00 1.66 1.70 0.90 0.49 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 0.00 110 L 8.01 3.93 0.00 1.80 1.66 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 111 I 7.96 3.70 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 1.50 0.69 0.90 0.00 0.00 112 S 8.18 4.12 0.00 4.03 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 0.00 113 I 7.49 3.77 2.01 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 1.58 0.59 1.06 0.00 0.00 114 I 7.98 3.92 1.86 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 1.44 0.56 0.90 0.00 0.00 115 K 8.21 4.53 0.00 1.85 1.82 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.48 7.81 116 T 7.74 4.37 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 1.21 0.00 0.00 *117 T 7.87 4.14 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 1.21 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.