NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 38 E 4.0902 8.4331 121.4713 57.0604 30.6997 175.7538 39 G 3.7998 8.6981 110.9286 43.3101 0.0000 170.6854 40 S 4.9047 8.9751 114.3198 56.0016 67.3957 171.7504 41 D 4.7946 8.5715 120.7890 54.2779 41.3338 175.8582 42 A 4.2536 8.0772 125.0491 50.3841 19.2284 175.6583 43 P 4.0638 0.0000 0.0000 63.2113 31.8445 176.0223 44 N 4.7640 8.5945 121.9212 53.8799 40.0254 173.5327 45 F 5.1053 7.9256 116.6652 55.8256 41.7547 172.8482 46 V 5.0322 8.5592 118.9767 61.3686 33.8009 174.4747 47 L 5.0416 9.1012 126.5619 53.2072 46.4850 175.3451 48 E 5.1575 8.6333 119.8477 55.2059 32.1688 176.3593 49 D 5.2215 8.9577 122.2811 51.9779 41.1057 176.9924 50 T 4.1169 8.4072 107.9230 63.7568 68.9302 174.6371 51 N 4.6500 8.4157 118.6344 52.9700 38.7709 175.7369 52 G 4.0121 8.1901 106.5339 45.0454 0.0000 173.6549 53 K 4.2129 8.3285 122.7017 55.9586 33.2214 176.2385 54 R 4.6395 8.6864 127.1673 56.1831 31.1281 175.8305 55 I 4.5412 9.1015 125.0361 59.3816 40.3807 173.9800 56 E 4.9156 8.5158 127.5228 54.0916 31.6308 176.1298 57 L 3.6284 7.9783 129.5388 58.0624 42.5296 179.2961 58 S 4.1048 8.2080 112.8085 60.9090 62.9923 175.7655 59 D 4.4546 7.7919 120.1874 56.3108 40.8010 176.7903 60 L 4.5171 7.9282 118.8489 54.0692 41.9794 176.5829 61 K 4.0944 7.4077 118.9808 58.0739 32.3637 177.3483 62 G 4.0227 9.2058 111.4846 44.7781 0.0000 173.4518 63 K 4.7752 7.7051 118.5935 54.1536 35.7308 176.0138 64 G 4.0211 8.6877 109.7046 45.7414 0.0000 172.7426 65 V 4.9462 8.9251 123.4106 60.8947 34.6389 174.2621 66 F 4.6659 9.3902 131.7212 56.9951 39.9400 173.8635 67 L 4.9130 8.7106 129.6940 53.5806 43.3018 174.2753 68 N 5.3706 8.8323 126.2163 51.7873 41.4899 173.0181 69 F 5.2867 9.4408 126.0257 56.2110 41.0141 175.0653 70 W 5.3119 8.7932 119.4975 55.5418 32.2313 173.4834 71 G 3.7736 8.0565 106.1300 44.3303 0.0000 173.9373 72 T 3.7521 8.9953 111.8560 63.2805 69.0617 175.7484 73 W 4.4545 7.1423 117.4715 57.4408 29.0683 176.1621 74 C 4.2174 7.1194 120.3520 58.3653 31.3764 173.3713 75 E 4.0066 8.8429 128.9370 59.1024 29.1517 177.5783 76 P 4.3650 0.0000 0.0000 65.8399 31.2955 178.3385 77 C 4.1977 7.9719 116.3160 62.8142 28.0442 175.7131 78 K 3.5441 7.9853 118.8373 59.3453 31.6433 178.9377 79 K 4.0028 7.9831 119.2980 58.9711 32.3218 178.0398 80 E 4.1349 7.7610 116.4121 57.6415 29.8241 178.3333 81 F 3.8129 7.7945 118.3633 60.2039 39.2916 174.6898 82 P 4.4776 0.0000 0.0000 65.9713 31.5345 178.3613 83 Y 4.4090 7.4319 113.7402 58.5842 36.8618 177.7096 *85 A 4.6032 8.1484 124.8966 52.5604 20.6172 179.7265 86 N 4.4740 8.3775 112.0932 56.7914 38.8952 177.5131 87 Q 4.2788 8.3661 119.3153 58.8998 28.8832 177.9352 88 Y 4.2795 8.1744 120.3800 60.7013 38.5836 178.0929 89 K 3.9096 7.7534 117.5727 59.4049 32.1526 178.0180 90 H 4.3073 8.0451 117.3533 57.6453 30.3395 176.2500 91 F 4.5891 7.8675 117.5654 57.6522 39.8709 177.7981 92 K 4.0261 7.8020 118.2341 58.7741 31.8494 178.6963 93 S 4.3490 7.8411 109.6834 59.5071 63.2115 174.2588 94 Q 4.4046 7.9805 119.5578 55.6231 29.0214 175.6377 95 G 3.8241 8.2155 106.4509 46.4159 0.0000 173.0141 96 V 4.9354 7.8122 118.6761 60.6656 34.1377 173.6920 97 E 5.0298 9.4129 128.5264 54.5926 32.5735 174.3399 98 I 4.8090 8.3749 126.0272 59.8945 39.2677 175.3466 99 V 4.4639 8.7577 125.6513 61.2550 34.3345 174.3260 100 A 5.0119 8.9703 131.8174 50.5948 20.5091 176.0270 101 V 4.3063 8.7016 124.1793 62.3529 32.5401 174.7951 102 N 3.5699 8.9825 128.6858 53.2563 40.0276 174.7018 103 V 4.1312 7.8491 120.5913 60.5998 30.5020 176.4859 104 G 3.8541 8.7173 112.3517 45.0046 0.0000 171.1806 105 E 4.3461 7.9294 119.3315 55.0376 30.9631 176.5957 106 S 4.4930 8.1278 115.2652 57.6148 65.4343 175.2769 107 K 3.9446 8.4831 121.5770 59.8112 31.7444 179.4300 108 I 3.7388 7.7574 118.0472 63.9407 37.9990 177.5638 109 A 4.0556 7.9834 121.5199 55.2145 17.9958 179.8646 110 V 3.7340 7.7723 115.7221 66.2389 31.7113 177.2579 111 H 4.2988 8.4960 117.4355 59.6505 30.0255 176.5148 112 N 4.5767 8.5289 118.1486 56.1872 38.3181 177.7771 113 F 4.1272 8.2000 118.7031 59.0290 39.4345 176.7015 *115 K 4.1753 8.0199 118.4563 56.0733 33.8126 178.4750 116 S 3.9692 8.0086 113.8123 60.8694 62.7157 174.6651 117 Y 4.0893 7.5104 115.3028 56.7667 37.9821 175.5425 118 G 3.7667 7.3923 106.3214 46.4522 0.0000 174.8959 119 V 3.3104 7.7585 119.1696 62.4963 31.8725 174.8741 120 N 4.9490 8.2739 123.5273 52.5851 39.3641 173.4809 121 F 4.8319 6.4898 112.2859 53.7135 41.5260 172.8258 122 P 4.4654 0.0000 0.0000 63.0209 32.3444 175.6413 123 V 5.1531 8.5411 122.9727 61.3236 34.7531 174.5300 124 V 4.8298 8.9240 119.8752 59.5888 36.0044 174.6884 125 L 4.6155 8.5557 122.7854 53.1232 42.9261 177.1714 126 D 4.5786 8.6067 127.8358 52.7225 39.6224 176.8086 127 T 3.8862 7.9497 112.8929 63.4718 69.2346 175.8659 128 D 4.7597 7.9533 119.2192 52.3875 39.9202 176.6495 129 R 4.4555 8.0258 116.0146 57.9632 28.5040 178.3741 130 Q 4.0307 7.8378 120.2077 58.9965 28.5587 178.6911 131 V 3.7177 8.4134 119.4775 65.5116 31.5493 177.5730 132 L 3.6551 8.6833 120.7161 58.5311 41.8413 178.9279 133 D 4.3109 8.2051 118.2329 57.2955 40.5244 178.6110 134 A 3.9862 8.0102 120.3290 54.7832 18.4449 178.2852 135 Y 3.7820 7.8201 112.3679 56.6384 38.6820 174.8489 136 D 4.2857 7.7103 118.6252 54.9650 40.3305 173.6598 137 V 3.8988 7.5385 116.8660 62.2559 31.7568 173.5770 138 S 4.5992 7.7623 120.5937 59.1350 66.3623 172.4461 139 P 4.5351 0.0000 0.0000 62.7605 32.4624 175.9048 140 L 4.7769 8.1790 119.7278 52.2732 44.1771 174.7569 141 P 5.1140 0.0000 0.0000 62.4301 33.2871 174.9847 142 T 5.0250 8.4995 116.4356 62.1336 72.5340 172.9268 143 T 4.9655 8.6392 121.8421 61.6634 72.2863 172.7738 144 F 4.9586 9.2021 124.6985 55.6441 41.9225 174.5210 145 L 4.8128 8.9030 124.5851 53.4988 43.1476 175.3891 146 I 4.9977 8.6330 126.3592 59.3838 39.5703 175.9489 147 N 4.9797 9.0190 125.0790 51.4478 38.9020 174.5347 148 P 4.6609 0.0000 0.0000 64.8481 31.4636 178.2805 149 E 4.0992 8.2049 115.7707 57.3165 30.0537 177.4373 150 G 3.9635 8.8477 108.4667 45.1507 0.0000 172.7972 151 K 4.7234 8.3531 119.0111 54.0691 34.1433 175.8796 152 V 4.2146 8.7895 123.6944 63.5105 31.6397 176.5405 153 V 4.3102 8.7322 121.7852 61.8475 33.2459 176.2626 154 K 4.5637 7.7260 120.4140 54.9395 35.6134 174.5149 155 V 4.5488 8.1581 125.2042 60.9237 34.6287 174.7174 156 V 4.3226 8.3809 126.8111 61.2719 34.3742 173.9524 157 T 4.6043 8.7127 118.2103 61.2503 70.7097 175.2532 158 G 3.9347 8.7470 110.3028 45.0176 0.0000 173.1618 159 T 4.7488 8.0129 111.6817 61.1780 68.3249 172.9302 *161 T 4.1219 8.0420 109.6959 61.2886 69.9042 173.3350 162 E 3.8956 7.7181 122.3734 59.4707 29.9254 179.6049 163 S 4.3825 7.6442 112.4950 58.9885 62.5905 175.9872 *165 I 4.1250 7.9094 123.1840 61.7500 38.8696 177.4887 166 H 4.2111 8.3431 118.8465 59.4112 30.1179 175.9803 167 D 4.5288 8.1588 119.0751 57.8381 40.8220 179.1989 168 Y 4.3556 7.2044 112.3031 58.9035 36.9662 177.7132 *170 N 4.7673 8.2183 120.0209 53.3117 40.6415 176.6313 171 L 3.8213 7.8867 119.3028 57.2945 42.2148 177.4372 172 I 4.3553 7.3182 109.5107 60.1356 38.4017 175.3080 173 K 4.3558 7.4134 121.6103 56.2931 33.2576 175.0727 174 P 4.4339 0.0000 0.0000 62.8930 32.2122 176.3291 175 G 3.8600 8.4710 110.3077 46.9174 0.0000 173.0470 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 38 E 8.43 4.09 0.00 1.95 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 2.20 2.32 0.00 39 G 8.70 3.80 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 0.00 0.00 0.00 40 S 8.98 4.90 0.00 3.87 3.94 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 0.00 0.00 0.00 41 D 8.57 4.79 0.00 2.53 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 42 A 8.08 4.25 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 43 P 0.00 4.06 0.00 1.69 1.87 0.00 2.73 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.78 0.00 44 N 8.59 4.76 0.00 2.70 2.72 0.00 0.00 6.97 7.02 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 45 F 7.93 5.11 0.00 3.17 3.18 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 46 V 8.56 5.03 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 0.89 0.00 0.00 0.95 0.00 0.00 47 L 9.10 5.04 0.00 1.74 1.52 0.64 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.63 5.16 0.00 1.95 1.88 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 2.37 2.33 0.00 49 D 8.96 5.22 0.00 3.03 2.91 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 50 T 8.41 4.12 4.30 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 1.34 0.00 0.00 51 N 8.42 4.65 0.00 2.90 2.90 0.00 0.00 7.04 7.65 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 52 G 8.19 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 0.00 0.00 0.00 53 K 8.33 4.21 0.00 1.90 2.11 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.45 7.81 54 R 8.69 4.64 0.00 1.76 1.89 0.00 3.22 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 55 I 9.10 4.54 1.96 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.08 0.95 0.00 0.00 56 E 8.52 4.92 0.00 1.98 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 2.17 2.34 0.00 57 L 7.98 3.63 0.00 0.48 1.37 0.86 0.76 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 58 S 8.21 4.10 0.00 4.02 4.06 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 0.00 0.00 0.00 59 D 7.79 4.45 0.00 2.87 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 60 L 7.93 4.52 0.00 1.82 1.68 0.93 0.89 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 61 K 7.41 4.09 0.00 1.96 1.76 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.40 7.81 62 G 9.21 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 63 K 7.71 4.78 0.00 1.91 1.83 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.38 7.81 64 G 8.69 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 65 V 8.93 4.95 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 1.08 0.00 0.00 0.97 0.00 0.00 66 F 9.39 4.67 0.00 3.09 2.74 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 67 L 8.71 4.91 0.00 1.83 1.77 0.87 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 68 N 8.83 5.37 0.00 2.86 2.61 0.00 0.00 6.83 7.29 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 69 F 9.44 5.29 0.00 3.19 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 70 W 8.79 5.31 0.00 3.43 3.22 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 71 G 8.06 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 72 T 9.00 3.75 4.48 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 1.23 0.00 0.00 73 W 7.14 4.45 0.00 3.61 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 74 C 7.12 4.22 0.00 1.81 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 75 E 8.84 4.01 0.00 2.08 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 2.51 2.40 0.00 76 P 0.00 4.37 0.00 2.29 2.35 0.00 3.65 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 77 C 7.97 4.20 0.00 3.17 3.18 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 78 K 7.99 3.54 0.00 1.88 1.81 0.00 1.79 0.00 0.00 1.79 0.00 0.00 3.30 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.30 1.66 7.81 79 K 7.98 4.00 0.00 1.76 1.85 0.00 1.70 0.00 0.00 1.81 0.00 0.00 3.38 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.46 7.81 80 E 7.76 4.13 0.00 2.46 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 2.60 2.32 0.00 81 F 7.79 3.81 0.00 2.74 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 82 P 0.00 4.48 0.00 1.98 2.12 0.00 3.49 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.27 0.00 83 Y 7.43 4.41 0.00 3.11 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *85 A 8.15 4.60 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 86 N 8.38 4.47 0.00 3.05 2.96 0.00 0.00 7.12 7.17 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 87 Q 8.37 4.28 0.00 2.09 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.79 0.00 0.00 0.00 0.00 0.00 2.57 2.54 0.00 88 Y 8.17 4.28 0.00 2.98 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 89 K 7.75 3.91 0.00 2.00 1.87 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.76 7.81 90 H 8.05 4.31 0.00 3.01 3.29 0.00 5.93 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 F 7.87 4.59 0.00 3.15 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 92 K 7.80 4.03 0.00 1.62 1.47 0.00 1.42 0.00 0.00 1.25 0.00 0.00 2.67 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 0.95 7.81 93 S 7.84 4.35 0.00 3.90 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 94 Q 7.98 4.40 0.00 2.30 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.37 0.00 0.00 0.00 0.00 0.00 2.21 2.22 0.00 95 G 8.22 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 V 7.81 4.94 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 0.97 0.00 0.00 97 E 9.41 5.03 0.00 2.16 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 98 I 8.37 4.81 1.22 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.49 0.29 0.00 0.00 99 V 8.76 4.46 2.16 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 1.11 0.00 0.00 1.00 0.00 0.00 100 A 8.97 5.01 1.49 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 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.70 4.31 0.99 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 0.55 0.00 0.00 0.22 0.00 0.00 102 N 8.98 3.57 0.00 1.96 2.41 0.00 0.00 6.79 7.27 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 0.00 103 V 7.85 4.13 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 0.74 0.00 0.00 0.92 0.00 0.00 104 G 8.72 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 0.00 0.00 0.00 105 E 7.93 4.35 0.00 1.93 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 2.33 2.34 0.00 106 S 8.13 4.49 0.00 4.05 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 0.00 107 K 8.48 3.94 0.00 1.83 1.93 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.55 1.52 7.81 108 I 7.76 3.74 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 1.59 1.49 0.94 0.00 0.00 109 A 7.98 4.06 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 0.00 110 V 7.77 3.73 2.16 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 1.07 0.00 0.00 0.85 0.00 0.00 111 H 8.50 4.30 0.00 3.21 3.62 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.53 4.58 0.00 3.08 2.93 0.00 0.00 6.74 7.97 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 0.00 113 F 8.20 4.13 0.00 3.40 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 *115 K 8.02 4.18 0.00 1.76 1.79 0.00 1.66 0.00 0.00 1.72 0.00 0.00 2.77 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.25 7.81 116 S 8.01 3.97 0.00 3.73 3.34 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 0.00 117 Y 7.51 4.09 0.00 2.61 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 0.00 118 G 7.39 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 0.00 119 V 7.76 3.31 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.23 0.00 0.00 0.91 0.00 0.00 120 N 8.27 4.95 0.00 2.84 2.93 0.00 0.00 6.93 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 0.00 121 F 6.49 4.83 0.00 2.30 1.45 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 0.00 122 P 0.00 4.47 0.00 2.32 2.10 0.00 3.77 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.18 0.00 123 V 8.54 5.15 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 1.45 0.00 0.00 1.10 0.00 0.00 124 V 8.92 4.83 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 0.81 0.00 0.00 0.94 0.00 0.00 125 L 8.56 4.62 0.00 1.49 1.57 0.94 1.08 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 0.00 126 D 8.61 4.58 0.00 2.62 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 0.00 127 T 7.95 3.89 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 1.24 0.00 0.00 128 D 7.95 4.76 0.00 2.89 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 0.00 129 R 8.03 4.46 0.00 2.08 2.04 0.00 3.12 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 1.54 1.57 0.00 130 Q 7.84 4.03 0.00 1.92 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.83 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 131 V 8.41 3.72 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 0.56 0.00 0.00 0.81 0.00 0.00 132 L 8.68 3.66 0.00 1.92 1.86 0.87 1.11 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 0.00 133 D 8.21 4.31 0.00 2.90 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 0.00 134 A 8.01 3.99 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 0.00 135 Y 7.82 3.78 0.00 2.62 2.39 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 0.00 136 D 7.71 4.29 0.00 2.73 2.70 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 0.00 0.00 0.00 137 V 7.54 3.90 1.71 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 0.69 0.00 0.00 0.36 0.00 0.00 138 S 7.76 4.60 0.00 3.85 3.70 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 0.00 0.00 0.00 139 P 0.00 4.54 0.00 2.19 2.07 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 140 L 8.18 4.78 0.00 1.54 1.53 0.82 1.10 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 0.00 141 P 0.00 5.11 0.00 2.18 2.28 0.00 3.82 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 1.97 0.00 142 T 8.50 5.03 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 0.78 0.00 0.00 143 T 8.64 4.97 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.24 0.00 0.00 144 F 9.20 4.96 0.00 3.02 3.06 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 0.00 0.00 0.00 145 L 8.90 4.81 0.00 1.47 1.56 0.57 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 146 I 8.63 5.00 2.05 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.92 0.98 0.00 0.00 147 N 9.02 4.98 0.00 2.86 2.98 0.00 0.00 6.60 8.30 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 0.00 148 P 0.00 4.66 0.00 2.22 2.24 0.00 3.89 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.17 0.00 149 E 8.20 4.10 0.00 2.09 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 2.32 2.37 0.00 150 G 8.85 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 0.00 0.00 0.00 151 K 8.35 4.72 0.00 1.83 1.83 0.00 1.77 0.00 0.00 1.58 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.38 1.36 7.81 152 V 8.79 4.21 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 1.16 0.00 0.00 1.09 0.00 0.00 153 V 8.73 4.31 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 0.76 0.00 0.00 0.96 0.00 0.00 154 K 7.73 4.56 0.00 1.70 1.43 0.00 1.58 0.00 0.00 1.53 0.00 0.00 2.42 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.05 1.27 7.81 155 V 8.16 4.55 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 0.33 0.00 0.00 0.95 0.00 0.00 156 V 8.38 4.32 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 1.01 0.00 0.00 0.29 0.00 0.00 157 T 8.71 4.60 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 1.10 0.00 0.00 158 G 8.75 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 0.00 159 T 8.01 4.75 4.30 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 1.28 0.00 0.00 *161 T 8.04 4.12 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 1.20 0.00 0.00 162 E 7.72 3.90 0.00 1.17 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 0.00 2.27 2.28 0.00 163 S 7.64 4.38 0.00 3.81 3.76 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 *165 I 7.91 4.12 1.97 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 1.55 1.05 0.65 0.00 0.00 166 H 8.34 4.21 0.00 3.24 3.51 0.00 5.96 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 8.16 4.53 0.00 2.50 2.69 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 0.00 168 Y 7.20 4.36 0.00 3.33 2.94 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 0.00 0.00 0.00 *170 N 8.22 4.77 0.00 2.97 2.97 0.00 0.00 6.65 6.74 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 0.00 171 L 7.89 3.82 0.00 1.82 1.99 0.95 1.07 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 0.00 172 I 7.32 4.36 2.06 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.76 0.97 0.00 0.00 173 K 7.41 4.36 0.00 2.08 1.97 0.00 1.83 0.00 0.00 2.04 0.00 0.00 3.11 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.71 1.46 7.81 174 P 0.00 4.43 0.00 2.12 2.22 0.00 4.07 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.12 0.00 175 G 8.47 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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.