NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.1405 8.2549 119.6944 56.3968 31.6262 175.9767 3 N 4.5313 7.7672 117.6847 51.8879 37.0031 173.5196 4 Y 4.2218 8.5375 119.6491 60.3438 39.7989 176.5192 5 I 4.1158 7.7677 120.7683 60.9854 37.7429 175.4764 6 Q 4.4045 9.5339 123.5674 54.6807 30.2509 175.7324 7 G 3.9058 7.2625 103.6122 45.2905 0.0000 170.7689 8 I 4.1095 7.6954 120.6518 60.4522 38.2776 175.4772 9 D 4.6337 8.7167 125.7922 57.0657 42.2860 175.1649 10 H 5.1566 7.4595 110.0039 54.9430 31.3837 172.6750 11 V 4.3744 8.2136 117.6238 61.0320 34.5409 173.6582 12 Q 4.9659 8.6005 127.7266 54.5219 30.6301 174.4730 13 V 4.5848 8.8807 126.4862 61.0881 34.1822 174.7505 14 A 5.0088 8.7546 128.5598 51.8482 20.2227 175.9132 15 A 2.9757 7.9107 118.6985 49.7139 22.7705 174.5255 16 P 4.8706 0.0000 0.0000 61.4272 33.4396 176.0320 17 V 3.4795 8.1964 119.6093 63.3839 31.3466 176.4256 18 G 3.9191 8.9023 109.7472 46.7414 0.0000 174.5861 19 C 4.5602 7.6335 114.2952 59.4179 29.4965 175.4541 20 E 4.0555 7.8620 121.1524 59.6898 29.0767 178.6003 21 E 4.0552 8.3106 118.0523 59.8291 29.7203 179.3169 22 E 4.0299 8.3892 117.6230 59.2832 29.5766 179.1839 23 A 4.5417 8.7898 121.3718 55.4176 18.5740 179.9454 24 R 4.3254 8.8270 116.8873 59.5980 30.3554 179.2368 25 A 4.1103 8.5368 120.5308 54.4340 18.2333 178.6923 26 F 4.1858 8.0404 118.5526 60.8196 39.5293 177.4769 27 Y 3.6967 8.0973 116.1973 60.9833 37.4889 178.5258 28 G 3.6456 7.7955 106.2104 47.3262 0.0000 175.3087 29 E 3.9617 8.3056 121.7372 59.3137 30.1663 179.3030 30 T 4.1271 8.0771 114.1358 65.9595 68.5546 176.1684 31 I 3.7930 7.2901 111.9270 60.4042 38.2199 172.8303 32 G 3.6559 7.1367 115.1317 44.5104 0.0000 172.4341 *34 E 4.1947 8.3190 126.1812 55.2075 31.0423 174.4841 35 E 4.5390 9.2230 128.7454 56.2786 30.3479 175.6924 36 I 4.8014 8.4167 120.2942 58.2078 40.5408 173.5973 37 P 4.3037 0.0000 0.0000 62.3087 32.1736 176.2566 38 K 3.0075 7.7213 119.6017 54.4176 33.1372 175.2502 39 P 4.1357 0.0000 0.0000 62.7455 32.0345 176.8936 40 E 3.7805 8.9538 122.3808 59.8168 29.1141 179.0590 41 E 3.8984 8.0800 117.1620 59.0109 30.0461 177.8484 42 L 4.2882 7.7946 117.1373 55.3218 41.9939 178.7796 43 K 3.7858 7.5900 120.1392 59.1691 31.8597 178.8177 44 K 4.0666 7.9097 115.7965 58.8943 32.4689 177.5042 45 R 4.0469 7.8240 117.9363 56.2134 30.4343 177.4637 46 G 3.8931 7.8193 103.7014 45.7555 0.0000 173.0078 47 G 3.9034 10.0007 105.5748 44.6546 0.0000 172.4490 48 C 4.7609 8.5894 113.6722 57.9519 33.0007 173.7144 49 W 5.3301 8.3775 120.4814 55.1173 32.2753 174.6557 50 F 5.3751 9.3271 120.9518 55.7848 43.1700 173.5088 51 K 4.9151 9.3541 123.5174 55.2345 33.9717 176.2845 52 C 4.5938 8.9543 121.4160 57.0218 31.5432 174.1551 53 G 3.7397 8.4424 118.2768 47.3097 0.0000 172.6402 54 N 4.7121 8.8992 122.6936 53.5283 38.6912 173.8849 55 Q 4.9759 8.1707 117.9082 54.1370 33.1533 173.8851 56 E 5.3158 8.7508 118.0037 54.7333 34.3205 174.8662 57 I 4.9268 8.7451 120.8784 59.6521 41.2947 173.6712 58 H 5.0632 9.0736 126.7222 54.1458 31.2369 173.5579 59 I 4.6448 9.3911 126.3805 60.3140 38.4500 175.1047 60 G 4.4245 9.2266 115.6416 44.0709 0.0000 172.1892 61 V 4.3109 8.3949 124.5518 62.7198 32.2492 174.9234 62 E 4.7713 8.6738 126.8523 54.4918 32.0359 176.1745 63 Q 4.1133 9.0124 124.1674 58.8094 29.3590 176.4001 64 N 4.9406 7.6928 115.0603 50.8732 39.0859 172.2099 65 F 4.4906 8.4455 123.1795 57.6155 40.4920 174.3559 66 N 4.3659 7.8445 124.4685 50.1113 41.5958 172.6557 67 P 4.2872 0.0000 0.0000 62.5035 32.3515 175.7866 68 A 4.4520 8.5152 122.8282 51.1630 18.9630 177.9818 69 K 4.3067 8.5531 121.9951 57.6169 32.6028 176.8915 70 R 4.2856 7.1984 114.8552 57.2937 32.5403 175.8746 71 A 4.1405 7.7121 123.5464 52.7102 19.3836 176.3579 72 H 4.5408 7.7948 114.1086 54.1768 30.7354 172.0616 73 P 4.4440 0.0000 0.0000 62.3711 33.0730 174.5535 74 A 4.9583 8.0193 122.8351 50.2673 21.0959 175.4040 75 F 4.7330 8.8211 122.2527 56.2216 41.3369 174.7128 76 Y 4.2283 8.7371 124.3625 56.8966 39.6729 174.6604 77 V 4.2655 7.3251 125.2393 60.6939 34.2391 174.8245 78 L 4.4055 8.3675 126.4677 54.9218 42.8992 176.9118 79 K 3.8328 8.9554 120.6314 57.3020 29.4872 176.6998 80 I 3.8104 8.2495 120.6495 64.6997 38.1037 176.3933 81 D 4.4193 8.0721 119.1059 56.9801 40.6769 178.2559 82 E 3.8749 8.1008 119.5667 59.1658 29.8407 178.2496 83 F 4.1842 8.1708 120.7528 61.2817 39.3378 176.8493 84 K 3.2598 8.3997 119.4464 59.5798 31.9018 178.7585 85 Q 3.8237 7.6716 118.0898 58.8405 28.0676 178.5410 86 E 3.9369 8.0289 119.7364 59.2048 29.4161 179.4762 87 L 3.7477 7.3639 118.8818 57.7443 41.6663 179.5189 88 I 3.7344 7.6307 119.8332 64.3827 36.8082 178.4307 89 K 3.7753 8.1100 118.2881 59.6922 31.9858 177.7087 90 Q 4.2159 7.7679 115.3089 55.7917 28.4276 177.3844 91 G 4.0423 8.1283 106.1186 45.3993 0.0000 174.2887 92 I 3.8879 7.3514 121.0722 60.7936 37.6376 175.2192 93 E 4.2798 8.6808 126.0787 55.5995 30.2806 175.7087 94 V 4.9006 8.2051 118.6834 59.6581 35.1894 175.3407 95 I 4.5734 8.9535 124.0429 59.5053 39.8386 175.0415 96 D 4.9097 8.8316 127.0992 54.4595 41.7675 175.7339 97 D 4.6971 8.5431 120.5127 53.1795 44.0333 174.7571 98 H 4.8442 8.9025 120.9270 55.4417 29.6566 175.0248 99 A 4.0319 8.9077 125.0662 54.3248 18.5856 178.1058 100 R 4.4874 7.8716 116.9305 54.1213 30.6711 174.7841 101 P 4.5124 0.0000 0.0000 64.7609 32.1874 176.5434 102 D 4.8321 8.0860 118.2256 53.8678 40.9701 175.1781 103 V 4.8655 7.2669 117.5323 61.1631 34.3828 174.7987 104 I 4.5423 8.7254 129.0745 60.1571 38.2449 175.3557 105 R 5.0501 8.3809 122.1323 55.0386 33.1674 173.5678 106 F 5.2244 8.6058 114.1201 55.9795 41.9355 172.5331 107 Y 5.2936 9.1735 116.9718 56.5722 41.3381 175.2722 108 V 5.0608 8.8747 114.0310 60.1760 36.9675 174.1943 109 S 5.3135 8.5075 117.4872 56.7271 65.1101 174.5660 110 D 3.3700 8.7046 124.2726 51.4752 40.1172 175.3231 111 P 3.9613 0.0000 0.0000 64.4107 31.0472 177.3583 112 F 4.7443 7.7669 115.6217 57.0988 39.5432 176.5632 113 G 4.0883 8.0232 109.2366 44.7257 0.0000 173.6003 114 N 4.8289 8.4091 118.2874 52.8534 39.7939 174.4632 115 R 4.4628 9.0167 125.5524 56.6047 31.0166 175.6961 116 I 4.7037 9.0376 126.9354 59.4810 40.8891 173.8705 117 E 4.8506 8.8259 127.3726 54.5659 31.8873 174.6673 118 F 5.5749 8.0549 123.8924 54.6224 42.6406 173.8445 *120 E 3.4778 8.4371 119.9270 55.7074 30.8710 174.6977 121 N 4.7338 8.7310 122.4197 53.1825 39.6005 175.4350 122 K 4.2664 8.9337 121.0285 56.7881 31.8530 176.9922 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 2 R 8.25 4.14 0.00 1.30 1.34 0.00 3.09 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.56 0.00 3 N 7.77 4.53 0.00 2.67 2.71 0.00 0.00 6.93 6.57 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 4 Y 8.54 4.22 0.00 2.98 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 5 I 7.77 4.12 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 1.44 0.54 0.91 0.00 0.00 6 Q 9.53 4.40 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.16 0.00 0.00 0.00 0.00 0.00 2.47 2.28 0.00 7 G 7.26 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 0.00 0.00 0.00 8 I 7.70 4.11 1.82 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 1.24 0.57 0.86 0.00 0.00 9 D 8.72 4.63 0.00 2.78 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 10 H 7.46 5.16 0.00 2.92 2.98 0.00 5.52 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 11 V 8.21 4.37 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 1.00 0.00 0.00 0.83 0.00 0.00 12 Q 8.60 4.97 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 13 V 8.88 4.58 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 1.11 0.00 0.00 1.05 0.00 0.00 14 A 8.75 5.01 1.52 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 15 A 7.91 2.98 0.16 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 0.00 0.00 16 P 0.00 4.87 0.00 2.10 2.25 0.00 2.63 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 17 V 8.20 3.48 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 0.73 0.00 0.00 0.92 0.00 0.00 18 G 8.90 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 19 C 7.63 4.56 0.00 2.60 2.90 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 20 E 7.86 4.06 0.00 2.17 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 2.33 2.42 0.00 21 E 8.31 4.06 0.00 2.08 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 2.46 2.47 0.00 22 E 8.39 4.03 0.00 2.38 1.91 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 2.40 2.45 0.00 23 A 8.79 4.54 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 0.00 0.00 0.00 0.00 0.00 24 R 8.83 4.33 0.00 2.22 2.18 0.00 3.22 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 25 A 8.54 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.04 4.19 0.00 2.97 2.79 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 27 Y 8.10 3.70 0.00 2.10 1.79 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 28 G 7.80 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 E 8.31 3.96 0.00 2.07 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 2.31 0.00 30 T 8.08 4.13 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 1.01 0.00 0.00 31 I 7.29 3.79 1.88 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.41 0.26 0.00 0.00 32 G 7.14 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 *34 E 8.32 4.19 0.00 2.16 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 2.35 2.38 0.00 35 E 9.22 4.54 0.00 2.11 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 2.10 1.91 0.00 36 I 8.42 4.80 1.94 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.07 0.98 0.00 0.00 37 P 0.00 4.30 0.00 2.05 1.98 0.00 3.47 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.04 0.00 38 K 7.72 3.01 0.00 1.25 0.96 0.00 1.39 0.00 0.00 1.35 0.00 0.00 2.75 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.30 0.71 7.81 39 P 0.00 4.14 0.00 2.03 1.91 0.00 2.63 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 40 E 8.95 3.78 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 2.34 2.41 0.00 41 E 8.08 3.90 0.00 1.95 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 2.29 2.45 0.00 42 L 7.79 4.29 0.00 1.55 1.63 1.11 0.93 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 43 K 7.59 3.79 0.00 1.79 1.77 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.30 1.27 7.81 44 K 7.91 4.07 0.00 1.83 1.91 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.45 7.81 45 R 7.82 4.05 0.00 1.95 2.02 0.00 3.25 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.56 0.00 46 G 7.82 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 47 G 10.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 C 8.59 4.76 0.00 2.91 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 W 8.38 5.33 0.00 3.21 2.85 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 50 F 9.33 5.38 0.00 2.93 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 K 9.35 4.92 0.00 1.81 1.90 0.00 1.80 0.00 0.00 1.92 0.00 0.00 2.85 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.44 1.44 7.81 52 C 8.95 4.59 0.00 3.20 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 53 G 8.44 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.90 4.71 0.00 2.74 2.87 0.00 0.00 6.54 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 Q 8.17 4.98 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.58 6.65 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 56 E 8.75 5.32 0.00 1.77 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 2.28 2.24 0.00 57 I 8.75 4.93 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.94 0.99 0.00 0.00 58 H 9.07 5.06 0.00 2.87 2.94 0.00 5.67 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 9.39 4.64 2.06 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.39 0.89 0.00 0.00 60 G 9.23 4.42 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 8.39 4.31 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 0.76 0.00 0.00 0.91 0.00 0.00 62 E 8.67 4.77 0.00 1.99 1.89 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 2.27 2.27 0.00 63 Q 9.01 4.11 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.16 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 64 N 7.69 4.94 0.00 2.69 2.71 0.00 0.00 6.84 7.45 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 65 F 8.45 4.49 0.00 2.94 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 66 N 7.84 4.37 0.00 2.48 2.42 0.00 0.00 7.09 8.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.29 0.00 2.31 2.47 0.00 3.45 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.95 0.00 68 A 8.52 4.45 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 69 K 8.55 4.31 0.00 1.72 1.83 0.00 1.72 0.00 0.00 1.85 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.36 7.81 70 R 7.20 4.29 0.00 1.75 1.82 0.00 3.19 0.00 0.00 3.20 7.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.56 0.00 71 A 7.71 4.14 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 72 H 7.79 4.54 0.00 3.41 3.23 0.00 5.53 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.44 0.00 1.50 2.02 0.00 3.89 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 74 A 8.02 4.96 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 F 8.82 4.73 0.00 3.09 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 76 Y 8.74 4.23 0.00 3.06 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.33 4.27 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 0.47 0.00 0.00 0.69 0.00 0.00 78 L 8.37 4.41 0.00 1.68 1.60 0.95 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 79 K 8.96 3.83 0.00 1.95 1.87 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.36 7.81 80 I 8.25 3.81 1.87 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 1.86 1.81 1.01 0.00 0.00 81 D 8.07 4.42 0.00 2.73 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 82 E 8.10 3.87 0.00 2.04 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 2.39 2.36 0.00 83 F 8.17 4.18 0.00 3.05 3.25 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 0.00 84 K 8.40 3.26 0.00 1.39 1.48 0.00 0.92 0.00 0.00 0.80 0.00 0.00 2.71 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.90 0.21 7.81 85 Q 7.67 3.82 0.00 1.96 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 86 E 8.03 3.94 0.00 1.98 1.89 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 2.57 2.49 0.00 87 L 7.36 3.75 0.00 1.52 1.49 0.56 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.63 3.73 1.73 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.48 0.83 0.00 0.00 89 K 8.11 3.78 0.00 1.82 1.83 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.38 7.81 90 Q 7.77 4.22 0.00 2.16 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.61 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 91 G 8.13 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 I 7.35 3.89 1.95 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 1.16 0.85 1.05 0.00 0.00 93 E 8.68 4.28 0.00 1.93 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 2.31 2.34 0.00 94 V 8.21 4.90 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 0.68 0.00 0.00 0.70 0.00 0.00 95 I 8.95 4.57 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.97 1.05 0.00 0.00 96 D 8.83 4.91 0.00 2.60 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 97 D 8.54 4.70 0.00 2.82 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 98 H 8.90 4.84 0.00 3.19 3.31 0.00 5.76 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 8.91 4.03 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 0.00 100 R 7.87 4.49 0.00 1.87 1.84 0.00 3.20 0.00 0.00 3.41 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 101 P 0.00 4.51 0.00 2.24 2.18 0.00 3.83 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 102 D 8.09 4.83 0.00 2.74 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 0.00 103 V 7.27 4.87 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 0.83 0.00 0.00 0.97 0.00 0.00 104 I 8.73 4.54 1.89 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 1.32 0.72 0.97 0.00 0.00 105 R 8.38 5.05 0.00 1.64 1.85 0.00 3.03 0.00 0.00 3.36 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.43 0.00 106 F 8.61 5.22 0.00 3.16 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 9.17 5.29 0.00 2.97 2.85 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 0.00 108 V 8.87 5.06 2.35 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 1.26 0.00 0.00 1.43 0.00 0.00 109 S 8.51 5.31 0.00 3.69 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.70 3.37 0.00 2.05 2.48 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 0.00 111 P 0.00 3.96 0.00 0.73 1.70 0.00 2.74 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 112 F 7.77 4.74 0.00 3.22 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 0.00 113 G 8.02 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 0.00 0.00 0.00 114 N 8.41 4.83 0.00 3.19 2.94 0.00 0.00 6.73 7.66 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 0.00 115 R 9.02 4.46 0.00 1.76 1.85 0.00 3.26 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 116 I 9.04 4.70 1.91 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.44 0.69 0.00 0.00 117 E 8.83 4.85 0.00 2.22 1.91 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 1.96 1.66 0.00 118 F 8.05 5.57 0.00 1.92 2.60 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 0.00 0.00 0.00 0.00 *120 E 8.44 3.48 0.00 1.88 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.15 0.00 121 N 8.73 4.73 0.00 2.83 2.82 0.00 0.00 7.00 7.63 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 0.00 122 K 8.93 4.27 0.00 1.70 1.74 0.00 1.95 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.