NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.0649 8.0549 120.3964 62.7016 32.9213 174.1055 4 L 4.7375 8.0804 122.7809 52.9360 44.7243 173.8810 5 T 4.6174 9.7322 120.7499 62.1129 70.9766 173.4688 6 Q 5.4176 8.8460 124.3314 51.9166 32.3294 173.7303 7 P 4.4287 0.0000 0.0000 62.6047 32.0819 175.6762 8 P 4.5882 0.0000 0.0000 65.2431 32.5628 176.3070 9 S 5.3847 7.6788 109.7419 58.2729 65.7797 175.8860 *11 V 4.1966 8.3065 116.7518 61.2021 33.0893 174.5031 12 S 5.2090 8.6560 116.6042 56.1912 66.6793 172.8859 13 A 4.5620 8.1137 120.3584 51.7203 22.3403 174.5397 14 A 4.9827 8.1701 117.3785 49.3148 22.3290 174.8917 15 P 4.9888 0.0000 0.0000 64.0664 31.5202 175.9650 16 G 4.0746 9.0866 112.2748 45.5306 0.0000 173.1778 17 Q 4.2613 8.0332 122.8224 56.7292 30.6016 175.9247 18 K 5.2952 8.3884 124.1847 53.1884 35.0854 174.8838 19 V 4.6673 8.4718 123.7562 59.1054 35.1435 174.5303 20 T 4.9374 8.3216 110.9958 59.9800 71.6152 172.8800 21 I 4.5643 8.6422 126.0379 59.5679 39.3013 174.9949 22 S 5.2690 8.7134 121.3878 57.2171 66.0997 173.8990 23 C 5.0838 9.8015 121.2244 55.3504 43.9771 172.2436 24 S 5.1054 9.4267 122.7655 55.5583 63.9583 171.5981 25 G 4.9334 8.9780 115.6266 45.8602 0.0000 174.0284 26 S 4.6979 8.6795 122.4202 56.9611 65.3889 174.5325 27 S 4.2040 8.5299 114.2622 61.0342 63.2301 175.6743 27A S 4.2549 7.8953 114.8551 59.7400 63.1494 174.1440 27B N 5.1498 7.4663 116.0995 52.7968 38.9536 176.4730 28 I 3.7449 8.1748 120.5869 63.4288 38.3754 178.7039 29 G 3.9471 8.0907 108.9525 48.3677 0.0000 174.1906 30 N 5.0191 7.6942 114.0919 52.3290 39.7572 173.6862 31 D 4.7308 7.5351 114.9214 52.7825 45.2893 174.7701 32 Y 4.5526 8.3037 117.9144 57.8706 39.1933 175.2427 33 V 4.6007 9.0242 121.7853 61.3406 34.3584 174.6868 34 S 5.3340 9.0893 122.8368 56.5435 66.8622 172.9425 35 W 5.3195 9.0870 121.1628 55.2519 32.9678 174.1736 36 Y 5.2745 9.9341 120.6635 56.3780 41.4615 174.1508 37 Q 4.6102 9.3507 125.1974 54.6328 31.6306 174.1300 38 Q 4.6630 8.7490 126.7643 54.3349 32.0228 174.6025 39 L 4.5880 8.4724 126.4184 53.2518 43.5913 174.8955 40 P 4.1898 0.0000 0.0000 64.0438 31.6827 176.7236 41 G 3.9909 8.9300 109.1649 46.3663 0.0000 172.8394 42 T 4.6616 7.4458 107.6621 59.0141 72.0255 173.3231 43 A 4.2071 8.2886 124.4552 50.9595 19.1670 175.6274 44 P 4.5833 0.0000 0.0000 63.3189 32.3099 175.6377 45 K 4.7196 9.1719 124.0773 54.2769 35.3719 174.8313 46 L 4.2371 8.8346 129.6617 55.5390 42.1344 175.5232 47 L 4.4970 8.9015 126.3023 55.9510 43.5010 177.1087 48 I 5.1445 7.6450 118.3167 59.6483 41.3951 173.9880 49 Y 5.2246 8.4995 123.1267 53.7836 42.2508 174.3064 50 D 4.4293 9.5187 115.9619 55.7136 38.5473 175.2987 51 N 4.9393 9.7350 120.9696 53.9659 38.1967 176.4509 52 N 4.9247 8.0951 108.6722 53.2249 40.2342 174.3969 53 K 4.1533 8.1171 119.9368 55.8955 33.1123 175.5443 54 R 5.0814 8.0479 120.5427 53.8061 32.2113 174.4996 55 P 4.8024 0.0000 0.0000 62.0325 33.0051 175.8077 56 S 4.3256 8.5286 116.6619 60.0622 62.8285 174.1902 57 G 4.1006 9.2533 110.9475 45.4292 0.0000 173.5295 58 I 4.3638 7.2815 120.0145 59.2787 38.6872 173.7377 59 P 4.8660 0.0000 0.0000 60.8810 32.9108 176.2212 60 D 4.6263 8.5497 118.0438 54.8958 39.4143 177.3239 61 R 3.9229 7.9804 121.7238 58.9373 31.2388 175.8707 62 F 5.2828 8.2173 117.5174 56.1455 40.5749 175.6158 63 S 4.6941 8.8755 116.5981 57.4262 66.9131 172.7289 64 G 4.5262 8.3973 105.8879 44.8487 0.0000 171.6740 65 S 4.9545 9.5279 114.5708 56.4435 66.6189 172.6045 66 K 5.1441 8.5340 124.1786 54.8991 35.5126 175.6310 67 S 4.4168 9.3082 121.8721 57.4099 65.7493 174.8677 68 G 3.9017 8.4896 119.5117 47.5570 0.0000 173.3907 69 T 4.4790 8.7145 121.1804 63.0750 68.7296 173.5058 70 S 5.2918 8.0271 116.7713 56.9225 67.6034 172.8795 71 A 5.3251 9.2466 123.2773 50.8551 23.1651 175.1627 72 T 5.1766 9.8939 116.0407 61.9762 73.4261 172.7924 73 L 4.3038 8.4414 128.2731 52.9273 44.3267 175.1168 74 G 4.3070 8.7764 113.2755 44.3577 0.0000 172.0538 75 I 4.7380 8.4304 124.2675 59.6944 40.4670 175.2034 76 T 4.3955 8.1871 119.2324 60.1105 71.4760 174.2836 77 G 3.9508 8.5465 106.8710 45.4400 0.0000 173.4678 78 L 3.8098 7.5876 120.1937 55.2972 42.7424 175.8386 79 Q 4.9845 9.0259 123.6045 53.9126 32.4289 176.9736 80 T 3.9016 8.5361 115.3827 66.9323 68.5060 177.4618 81 G 3.7683 8.0351 108.2708 48.1449 0.0000 173.8799 82 D 4.7010 7.6597 118.4770 55.3689 41.0721 176.0002 83 E 4.3012 8.1971 121.6361 56.7866 30.0285 175.8232 84 A 4.2954 8.3376 127.4650 52.0194 23.7343 174.1343 85 N 5.1556 7.9497 116.4970 52.4314 40.7697 174.4948 86 Y 5.1983 8.6610 119.8102 56.4424 41.8108 174.0753 87 Y 5.4967 9.4363 121.8665 56.3695 41.5328 172.9067 88 C 4.4531 9.0575 117.9005 54.6959 41.3930 172.1446 89 A 4.9663 8.3697 120.4751 51.3727 22.9067 175.3501 90 T 4.6107 8.4527 114.0147 61.2797 71.7519 171.2620 91 W 4.9764 8.7347 131.9108 55.8857 32.8083 174.4292 92 D 4.8662 8.1939 127.9320 52.6050 41.3301 176.8827 93 R 3.7699 8.4571 128.1416 60.2748 30.2548 178.9061 94 R 3.7801 8.1775 118.7122 56.7861 27.6713 181.2171 95 P 4.1386 0.0000 0.0000 66.3103 32.3031 176.8947 95A T 4.6433 7.2114 109.0926 58.0461 72.1925 173.3763 95B A 4.1928 8.4324 124.7741 52.3663 19.0697 176.3471 95C Y 4.2099 7.2716 118.8569 55.6203 42.0132 173.7063 96 V 4.2414 8.2924 120.9679 62.4874 32.4170 175.3817 97 V 4.3511 8.5717 127.5669 59.8392 34.0935 174.6062 98 F 5.1758 8.6983 121.0346 55.4435 41.4378 175.7360 99 G 3.9422 9.3192 109.7512 46.0514 0.0000 174.3174 100 G 3.8639 8.8483 108.9760 46.2660 0.0000 174.8383 101 G 3.8943 8.5286 107.9214 45.4656 0.0000 173.1450 102 T 4.9158 8.5568 118.4172 60.2944 72.3472 172.8555 103 K 4.6966 8.9936 128.4552 55.2919 33.9961 174.8410 104 L 5.6095 9.3929 131.1398 53.3493 43.6655 174.9197 105 T 4.8989 8.5108 116.7165 59.9494 71.2986 173.1215 106 V 4.4423 8.5926 126.3716 61.3662 32.9394 175.0436 106A L 4.1845 8.2756 128.6891 54.2134 41.6234 176.1541 *123 E 4.3774 8.9081 125.0817 56.0598 31.4499 177.6875 124 E 4.0205 8.0151 116.0183 59.0350 30.3061 178.7946 125 L 4.4272 8.1526 121.3346 57.8487 41.9092 179.8859 126 Q 3.9790 8.0314 115.4561 57.8632 28.1527 178.7313 127 A 4.3812 7.7749 121.4130 52.6348 18.1544 177.4019 128 N 4.3161 8.1388 113.0937 54.4216 35.7586 177.8006 129 K 4.7835 8.0137 116.6563 55.6179 36.0230 175.5694 130 A 4.8576 8.1297 121.8910 51.3414 21.8988 175.9280 131 T 4.8457 8.4521 115.6383 60.2410 71.4361 174.5345 132 L 4.1715 9.0936 130.1146 54.6505 42.2598 172.5369 133 V 3.7081 8.4352 124.5735 60.6209 32.7868 175.7577 134 C 4.5925 8.5257 130.4445 54.9051 44.0229 172.3269 135 L 4.7268 8.1328 125.7153 54.2686 42.6744 176.6031 136 I 4.8110 8.2904 122.3105 60.0917 41.4600 174.4913 137 S 4.7896 9.0192 120.0616 57.6096 66.9292 173.5866 138 D 4.2806 7.9219 120.2085 55.9581 38.4690 172.2364 139 F 5.1316 6.5459 113.2668 55.5651 41.7716 174.8060 140 Y 4.3252 8.3292 116.3871 56.3058 39.4302 175.4941 *158 G 3.7325 7.6015 107.6897 46.3507 0.0000 171.9455 159 V 4.9647 8.3616 128.5348 61.4251 33.9221 175.5837 160 E 4.6333 9.2447 126.9867 55.9948 33.5206 173.5556 161 T 5.1033 8.4064 120.0933 57.8348 70.5074 171.0817 162 T 4.1263 9.0083 125.6573 63.0739 69.4336 174.6217 163 T 4.3038 8.6125 116.1396 60.9831 69.8987 172.0601 164 P 5.3117 0.0000 0.0000 62.9552 31.8680 176.1435 165 S 4.8064 8.9243 121.6800 57.3253 66.3829 173.4801 166 K 4.9843 8.2498 123.7081 53.4194 33.1809 176.9781 167 Q 4.2184 8.9622 125.5370 54.3814 29.4323 177.5232 168 S 3.9891 8.6268 114.9796 61.6536 62.6557 175.4748 *170 N 4.5770 8.0027 116.3814 51.5142 40.1315 174.4337 171 N 4.6739 8.1052 116.2359 54.6751 36.9500 174.1083 172 K 4.8960 7.4006 123.9492 54.3659 35.9859 177.5490 *173 Y 4.8598 7.9326 116.2655 57.5619 39.1525 170.9726 174 A 4.9619 8.5358 122.7061 50.4315 23.4730 174.6238 175 A 4.9434 8.6698 119.6253 52.3898 23.6440 175.1592 176 S 4.8478 7.9417 111.7047 58.0538 66.3562 174.1224 177 S 5.2872 8.7514 115.8658 57.2556 67.5066 172.8412 178 Y 5.0702 9.0565 119.4735 56.2735 42.2812 173.8797 179 L 4.9841 8.7198 125.6773 53.2988 44.1695 176.5934 180 S 4.8220 8.5902 123.1242 58.5884 63.8343 173.7821 *194 C 4.0705 8.2615 119.7193 57.5557 43.3920 173.4137 195 Q 3.6114 7.9543 124.9646 55.7530 27.9329 175.9872 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 3 V 8.05 4.06 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 1.04 0.00 0.00 0.98 0.00 0.00 4 L 8.08 4.74 0.00 1.70 1.51 0.83 0.29 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 5 T 9.73 4.62 4.27 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 1.25 0.00 0.00 6 Q 8.85 5.42 0.00 1.99 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.94 0.00 0.00 0.00 0.00 0.00 2.60 2.25 0.00 7 P 0.00 4.43 0.00 2.25 2.21 0.00 3.91 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.04 0.00 8 P 0.00 4.59 0.00 2.12 2.16 0.00 3.66 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.11 0.00 9 S 7.68 5.38 0.00 3.85 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 *11 V 8.31 4.20 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 0.92 0.00 0.00 0.90 0.00 0.00 12 S 8.66 5.21 0.00 3.80 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 13 A 8.11 4.56 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 14 A 8.17 4.98 1.25 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 0.00 0.00 15 P 0.00 4.99 0.00 1.93 2.02 0.00 3.75 0.00 0.00 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 16 G 9.09 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 17 Q 8.03 4.26 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.71 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 18 K 8.39 5.30 0.00 1.53 1.51 0.00 1.80 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.24 0.96 7.81 19 V 8.47 4.67 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 0.59 0.00 0.00 0.87 0.00 0.00 20 T 8.32 4.94 4.15 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 0.00 0.00 1.14 0.00 0.00 21 I 8.64 4.56 1.57 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.61 1.08 0.00 0.00 22 S 8.71 5.27 0.00 3.97 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 23 C 9.80 5.08 0.00 3.06 3.17 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 24 S 9.43 5.11 0.00 3.92 3.72 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 25 G 8.98 4.93 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 26 S 8.68 4.70 0.00 3.95 3.95 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 27 S 8.53 4.20 0.00 3.99 4.03 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 27A S 7.90 4.25 0.00 4.13 4.15 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 0.00 0.00 0.00 27B N 7.47 5.15 0.00 2.82 3.00 0.00 0.00 6.75 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 28 I 8.17 3.74 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.06 0.93 0.00 0.00 29 G 8.09 3.95 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 0.00 0.00 0.00 30 N 7.69 5.02 0.00 2.71 2.75 0.00 0.00 6.86 7.94 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 31 D 7.54 4.73 0.00 2.79 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 32 Y 8.30 4.55 0.00 2.91 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 33 V 9.02 4.60 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 0.65 0.00 0.00 0.89 0.00 0.00 34 S 9.09 5.33 0.00 3.76 3.48 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 35 W 9.09 5.32 0.00 3.22 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 36 Y 9.93 5.27 0.00 3.12 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 37 Q 9.35 4.61 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.75 0.00 0.00 0.00 0.00 0.00 2.11 1.72 0.00 38 Q 8.75 4.66 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.67 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 39 L 8.47 4.59 0.00 1.65 1.57 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.19 0.00 2.04 1.99 0.00 3.83 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 2.03 2.09 0.00 41 G 8.93 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 42 T 7.45 4.66 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 43 A 8.29 4.21 1.25 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 0.00 0.00 44 P 0.00 4.58 0.00 1.84 2.04 0.00 3.54 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.97 0.00 45 K 9.17 4.72 0.00 1.81 1.77 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.37 7.81 46 L 8.83 4.24 0.00 1.77 1.58 0.62 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.90 4.50 0.00 1.68 1.54 1.01 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 48 I 7.64 5.14 2.19 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 1.45 0.64 1.12 0.00 0.00 49 Y 8.50 5.22 0.00 2.93 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 D 9.52 4.43 0.00 2.49 2.49 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 51 N 9.74 4.94 0.00 3.01 3.12 0.00 0.00 6.61 7.52 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 52 N 8.10 4.92 0.00 2.75 3.02 0.00 0.00 7.06 6.65 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 53 K 8.12 4.15 0.00 0.79 1.15 0.00 1.06 0.00 0.00 1.35 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.20 1.08 7.81 54 R 8.05 5.08 0.00 1.69 1.88 0.00 3.49 0.00 0.00 3.60 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 55 P 0.00 4.80 0.00 2.10 1.98 0.00 3.78 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.17 0.00 56 S 8.53 4.33 0.00 3.89 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 57 G 9.25 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.28 4.36 2.02 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 1.42 0.90 0.93 0.00 0.00 59 P 0.00 4.87 0.00 2.25 2.01 0.00 4.01 0.00 0.00 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.15 0.00 60 D 8.55 4.63 0.00 2.76 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 61 R 7.98 3.92 0.00 1.80 1.56 0.00 3.27 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 62 F 8.22 5.28 0.00 2.98 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 63 S 8.88 4.69 0.00 3.84 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 64 G 8.40 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 S 9.53 4.95 0.00 3.82 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.53 5.14 0.00 1.82 1.64 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.62 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.54 7.81 67 S 9.31 4.42 0.00 3.80 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.49 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 69 T 8.71 4.48 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 70 S 8.03 5.29 0.00 3.76 3.73 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 71 A 9.25 5.33 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 72 T 9.89 5.18 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 1.16 0.00 0.00 73 L 8.44 4.30 0.00 0.27 0.15 0.54 0.30 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 74 G 8.78 4.31 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 0.00 75 I 8.43 4.74 1.61 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.47 0.43 0.00 0.00 76 T 8.19 4.40 4.15 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 0.00 0.00 1.11 0.00 0.00 77 G 8.55 3.95 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 0.00 0.00 0.00 78 L 7.59 3.81 0.00 1.86 1.70 0.84 0.49 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 79 Q 9.03 4.98 0.00 2.21 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.58 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 80 T 8.54 3.90 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 1.23 0.00 0.00 81 G 8.04 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 82 D 7.66 4.70 0.00 2.85 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 83 E 8.20 4.30 0.00 2.10 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 2.36 2.53 0.00 84 A 8.34 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 N 7.95 5.16 0.00 2.60 2.33 0.00 0.00 7.21 7.62 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 86 Y 8.66 5.20 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 87 Y 9.44 5.50 0.00 3.14 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 88 C 9.06 4.45 0.00 2.01 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 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.37 4.97 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 T 8.45 4.61 4.16 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 1.10 0.00 0.00 91 W 8.73 4.98 0.00 3.42 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 92 D 8.19 4.87 0.00 2.25 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 0.00 0.00 0.00 93 R 8.46 3.77 0.00 1.74 2.04 0.00 3.27 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.73 0.00 94 R 8.18 3.78 0.00 1.79 1.58 0.00 3.30 0.00 0.00 3.27 7.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.43 0.00 95 P 0.00 4.14 0.00 2.11 2.14 0.00 3.72 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 2.14 2.10 0.00 95A T 7.21 4.64 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 1.18 0.00 0.00 95B A 8.43 4.19 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 95C Y 7.27 4.21 0.00 2.95 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 96 V 8.29 4.24 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 0.49 0.00 0.00 1.24 0.00 0.00 97 V 8.57 4.35 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 0.49 0.00 0.00 0.85 0.00 0.00 98 F 8.70 5.18 0.00 2.81 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 99 G 9.32 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 0.00 0.00 0.00 100 G 8.85 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 0.00 101 G 8.53 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 0.00 102 T 8.56 4.92 4.36 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 1.31 0.00 0.00 103 K 8.99 4.70 0.00 2.01 1.83 0.00 1.55 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.40 1.45 7.81 104 L 9.39 5.61 0.00 1.90 1.94 0.94 0.70 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 0.00 105 T 8.51 4.90 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 1.23 0.00 0.00 106 V 8.59 4.44 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 1.00 0.00 0.00 106A L 8.28 4.18 0.00 1.61 1.62 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 *123 E 8.91 4.38 0.00 2.03 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 2.28 2.31 0.00 124 E 8.02 4.02 0.00 2.20 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 2.37 2.35 0.00 125 L 8.15 4.43 0.00 1.73 1.77 0.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 8.03 3.98 0.00 2.07 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.55 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 127 A 7.77 4.38 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 0.00 128 N 8.14 4.32 0.00 2.93 2.78 0.00 0.00 6.67 6.86 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 0.00 129 K 8.01 4.78 0.00 1.97 1.68 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.21 7.81 130 A 8.13 4.86 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 0.00 131 T 8.45 4.85 4.36 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 1.29 0.00 0.00 132 L 9.09 4.17 0.00 1.35 1.60 0.92 0.75 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 0.00 133 V 8.44 3.71 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 0.73 0.00 0.00 1.04 0.00 0.00 134 C 8.53 4.59 0.00 2.95 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 0.00 135 L 8.13 4.73 0.00 1.51 1.55 0.84 0.82 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 0.00 136 I 8.29 4.81 1.94 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 1.18 0.81 0.80 0.00 0.00 137 S 9.02 4.79 0.00 3.77 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 0.00 138 D 7.92 4.28 0.00 2.82 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 0.00 139 F 6.55 5.13 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 0.00 140 Y 8.33 4.33 0.00 2.84 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 *158 G 7.60 3.73 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 0.00 0.00 0.00 159 V 8.36 4.96 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 0.82 0.00 0.00 0.95 0.00 0.00 160 E 9.24 4.63 0.00 1.65 1.76 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 2.13 2.11 0.00 161 T 8.41 5.10 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 0.00 162 T 9.01 4.13 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 1.28 0.00 0.00 163 T 8.61 4.30 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 0.00 164 P 0.00 5.31 0.00 2.02 2.21 0.00 3.76 0.00 0.00 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 165 S 8.92 4.81 0.00 3.89 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 0.00 166 K 8.25 4.98 0.00 1.54 1.63 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.27 1.01 7.81 167 Q 8.96 4.22 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.24 0.00 168 S 8.63 3.99 0.00 3.97 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 *170 N 8.00 4.58 0.00 2.93 2.91 0.00 0.00 7.21 6.92 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 0.00 171 N 8.11 4.67 0.00 2.79 2.87 0.00 0.00 6.64 7.23 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 0.00 172 K 7.40 4.90 0.00 1.24 1.68 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.22 7.81 *173 Y 7.93 4.86 0.00 2.01 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 0.00 0.00 0.00 0.00 174 A 8.54 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 A 8.67 4.94 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.94 4.85 0.00 3.72 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 0.00 177 S 8.75 5.29 0.00 3.71 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 0.00 178 Y 9.06 5.07 0.00 2.75 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 L 8.72 4.98 0.00 1.81 1.55 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 180 S 8.59 4.82 0.00 3.80 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 *194 C 8.26 4.07 0.00 2.92 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 0.00 195 Q 7.95 3.61 0.00 2.10 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.42 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 * Residues marked with a * may have inaccurate shift predictions.