NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 G 4.2164 8.1600 107.8465 46.4117 0.0000 171.7660 10 K 4.9006 8.5306 119.3809 54.0328 36.3606 172.8795 11 L 5.3286 8.7823 127.9946 53.6748 44.9446 174.8293 12 T 5.0469 9.1012 116.3755 60.4261 72.6502 172.6930 13 T 4.6726 7.8216 114.0646 62.9256 70.4059 171.3512 14 H 4.8424 7.7248 117.5833 56.0788 33.1752 173.8098 15 I 4.9254 7.9454 126.2246 59.3759 40.2753 174.2767 16 L 4.8564 8.4145 126.6613 52.8960 44.6260 175.3934 17 D 4.9299 8.8462 124.5212 53.1125 41.0992 176.4158 18 L 4.3377 8.8913 124.2676 56.3213 41.2715 178.2162 19 T 4.3394 8.9026 116.8479 64.8454 68.4785 175.4397 20 C 4.5436 8.3354 116.6171 58.7265 29.5264 174.8172 21 G 3.8572 8.5716 107.6142 46.0294 0.0000 173.3749 22 K 4.8172 7.3054 114.6068 53.1560 36.3432 174.1355 23 P 4.7535 0.0000 0.0000 62.9030 32.0541 175.9174 24 A 4.2885 8.6478 125.8277 51.3145 19.2898 176.3105 25 A 4.6280 8.6395 123.9986 50.9582 21.9301 175.4958 26 N 4.3724 9.0612 115.3709 54.3707 36.9783 174.4739 27 V 4.2052 7.5991 118.5711 61.5608 33.1533 175.0759 28 K 3.8001 8.5404 129.3204 56.2667 33.7384 175.4037 29 I 4.6956 8.7670 127.5289 59.5090 40.3270 174.5743 30 G 4.2849 9.0089 115.6401 44.7227 0.0000 172.3783 31 L 5.2028 8.2539 124.9558 53.0136 45.5929 175.2319 32 K 4.6500 8.5720 122.3278 55.7561 36.1352 175.3759 33 R 4.0567 8.4827 121.1626 55.5859 31.6048 175.6289 34 L 3.7581 7.7048 124.3284 56.8916 41.9320 175.5325 35 G 4.1756 9.0736 114.7590 45.7923 0.0000 173.4956 36 E 4.2582 7.2834 117.6712 55.2973 31.0140 175.2118 37 S 4.7180 7.9230 113.3988 56.3461 65.6607 172.8351 38 I 3.8921 7.7702 121.0043 59.6501 38.1986 175.2092 *40 K 4.1694 8.2217 119.5710 56.7468 33.8364 175.6130 41 E 4.5294 8.5753 121.8276 55.4655 32.6552 174.6420 42 V 4.5759 8.5403 124.7561 61.0986 35.1355 173.7355 43 Y 5.1573 8.4255 122.1248 55.9849 40.4477 175.8806 44 T 4.3703 8.5098 114.8509 61.9281 70.5238 174.8908 45 N 4.7552 9.0852 121.4800 52.1782 39.6821 175.1313 46 N 4.3564 8.7031 114.2324 56.8348 38.6492 175.4726 47 D 4.5331 8.2302 115.1964 54.0665 41.5029 175.8969 48 G 3.8858 8.3788 106.1298 47.5607 0.0000 173.5241 49 R 4.8721 7.9391 117.9798 54.3329 34.2459 174.0186 50 V 4.6887 8.0401 110.6679 59.8902 34.3707 175.1945 51 D 4.5100 8.9221 125.3896 57.1360 40.8431 176.9856 52 V 4.2919 7.4017 116.4727 60.0104 33.1667 173.4534 53 P 4.3299 0.0000 0.0000 62.6200 31.9204 176.4050 54 L 4.1741 8.1132 119.8735 57.2966 42.0808 177.6288 55 L 4.5528 7.0582 116.3416 53.4842 45.6277 174.2232 56 A 4.7331 8.6304 121.3587 52.5230 22.3450 178.5458 57 G 3.7459 8.1266 108.5504 46.5456 0.0000 174.8485 58 E 3.9020 9.0419 117.8067 59.9131 29.8489 178.2543 59 E 4.0734 8.4740 116.5376 59.3975 29.5309 177.6467 60 L 4.0656 7.3862 118.2606 54.7577 42.7633 176.0933 *62 S 5.1728 7.7074 115.2825 57.8135 64.0993 173.9918 63 G 4.0648 7.9107 109.3439 44.0826 0.0000 170.8680 64 E 4.9125 7.7727 118.9143 55.4078 31.5168 175.4396 65 Y 4.8331 8.4559 119.7592 56.5024 43.0649 174.5807 66 V 5.4541 8.0930 119.2274 60.6503 35.7204 173.6532 *68 E 4.1655 8.6830 118.7969 56.4425 30.9701 174.8425 69 F 4.5123 8.6722 124.6521 56.3664 40.3444 176.8752 70 H 4.6312 8.8020 124.9169 54.3536 25.3108 176.0233 71 A 4.0324 7.7679 126.4772 55.1476 18.8148 179.2003 72 G 3.8459 8.9302 105.1721 48.5991 0.0000 175.5679 73 D 4.4489 8.1443 121.4060 56.6886 40.6421 178.0633 74 Y 4.0317 7.5551 119.3226 60.9895 39.0598 178.2360 75 F 4.2128 8.2279 118.0831 60.0268 39.0805 177.6580 76 A 4.0410 8.0048 121.2364 55.0979 18.0475 179.5923 77 S 4.2610 7.9618 110.7728 60.3263 63.0072 175.8121 78 K 4.2762 7.1099 120.1328 57.6813 33.0116 176.5589 79 N 4.0872 8.6047 115.5205 55.0230 37.6820 175.5406 *82 A 4.2826 8.4656 127.6397 51.9955 21.3900 176.5619 83 A 4.6692 7.4482 116.7579 51.1628 21.9108 175.2882 84 D 4.7114 8.6787 114.7264 55.5595 41.7158 177.6864 85 Q 4.7561 7.4815 116.1394 54.1417 30.9450 172.1071 86 P 4.3233 0.0000 0.0000 62.5923 32.5850 176.6858 87 F 4.2690 8.8925 125.1307 61.0519 39.4119 175.1069 88 L 4.1735 7.7092 120.9828 53.6535 41.5198 175.0281 89 T 4.2506 7.6279 114.8306 61.2012 70.0746 173.7521 90 I 4.5298 7.3562 133.5609 58.2044 39.5869 175.2055 91 V 3.5565 8.3052 128.7880 62.9664 32.1955 174.6038 92 T 4.8313 8.4592 122.8377 60.4767 69.5256 173.7435 93 V 4.5774 8.3164 126.7069 61.4039 34.7285 173.6451 94 R 5.1341 8.7547 128.4308 54.9506 32.1695 174.6376 95 F 4.9262 8.0190 118.9481 56.2577 42.0367 172.3734 96 Q 4.9559 8.6811 119.8235 54.3107 31.4334 174.3073 97 L 3.9764 8.8585 127.3979 54.1721 42.2721 177.5657 98 A 3.9948 8.9951 127.5520 54.5666 19.5237 176.7501 99 D 4.6965 8.3385 118.3816 52.7452 40.8774 175.4606 100 P 4.5570 0.0000 0.0000 64.6319 31.6160 177.2825 101 D 4.8937 9.9948 117.5234 53.9498 42.3310 176.0291 102 A 4.2986 7.8992 121.4536 51.7949 20.0644 176.0744 103 H 5.0949 8.2829 115.8683 54.8921 30.9120 175.1483 104 Y 4.5569 9.0978 119.2116 56.8800 41.7016 173.9479 105 H 5.1767 8.7999 125.5354 54.0561 31.6594 173.0607 106 I 4.8105 7.8309 128.0216 57.7624 37.2508 174.0582 107 P 4.5329 0.0000 0.0000 61.8882 33.4805 174.6678 108 L 4.6986 9.1287 123.6605 53.3739 45.0184 175.0877 109 L 4.8001 8.9697 127.6947 53.5928 43.2796 175.5543 110 L 5.2098 8.9499 126.4026 53.3711 45.4016 175.0522 111 S 5.2058 9.2250 118.7780 55.9788 65.9313 173.0383 112 P 3.7482 0.0000 0.0000 64.8673 31.1408 177.2660 113 F 4.8433 7.8886 114.5679 56.1474 40.6775 174.2999 114 G 4.2270 8.1599 108.2127 45.7957 0.0000 172.3914 115 Y 5.3330 8.0094 116.7069 55.8100 40.9537 173.3945 116 Q 4.6386 9.3914 122.9545 54.4196 31.5076 174.1665 117 V 4.8168 8.4821 126.2783 61.2893 33.8901 173.8582 118 Y 4.8444 8.1275 123.9241 56.1032 42.1904 173.8460 119 R 4.2333 8.7719 120.7404 54.1469 30.1972 175.9489 120 G 4.6102 8.5760 125.7514 45.1261 0.0000 172.4536 121 S 4.4805 8.6580 120.1031 59.0043 62.3953 176.3490 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 9 G 8.16 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 0.00 0.00 0.00 0.00 10 K 8.53 4.90 0.00 1.57 1.17 0.00 1.45 0.00 0.00 1.55 0.00 0.00 2.77 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 1.37 7.81 11 L 8.78 5.33 0.00 1.73 1.39 0.86 0.37 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 12 T 9.10 5.05 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 1.19 0.00 0.00 13 T 7.82 4.67 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 1.27 0.00 0.00 14 H 7.72 4.84 0.00 3.23 3.01 0.00 5.85 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 15 I 7.95 4.93 1.67 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 1.05 0.86 0.62 0.00 0.00 16 L 8.41 4.86 0.00 1.52 1.54 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 17 D 8.85 4.93 0.00 2.83 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 18 L 8.89 4.34 0.00 1.84 1.76 0.98 0.66 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 19 T 8.90 4.34 4.66 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 1.29 0.00 0.00 20 C 8.34 4.54 0.00 3.07 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 21 G 8.57 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 22 K 7.31 4.82 0.00 1.70 1.71 0.00 1.73 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.56 7.81 23 P 0.00 4.75 0.00 2.14 2.12 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 24 A 8.65 4.29 0.37 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 25 A 8.64 4.63 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 26 N 9.06 4.37 0.00 2.94 3.06 0.00 0.00 6.85 7.92 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 27 V 7.60 4.21 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 0.88 0.00 0.00 0.59 0.00 0.00 28 K 8.54 3.80 0.00 1.38 1.33 0.00 1.42 0.00 0.00 1.11 0.00 0.00 2.75 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.05 0.54 7.81 29 I 8.77 4.70 1.70 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 1.08 0.97 0.49 0.00 0.00 30 G 9.01 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 0.00 0.00 0.00 0.00 31 L 8.25 5.20 0.00 1.64 1.43 0.89 0.59 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 32 K 8.57 4.65 0.00 1.88 1.80 0.00 1.31 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.34 7.81 33 R 8.48 4.06 0.00 1.63 1.64 0.00 3.10 0.00 0.00 2.67 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.51 0.00 34 L 7.70 3.76 0.00 1.65 1.41 0.95 0.93 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 35 G 9.07 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 36 E 7.28 4.26 0.00 1.97 1.90 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 2.29 2.16 0.00 37 S 7.92 4.72 0.00 3.91 3.81 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 0.00 0.00 0.00 0.00 38 I 7.77 3.89 1.85 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 1.38 0.90 0.94 0.00 0.00 *40 K 8.22 4.17 0.00 1.71 1.74 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.48 7.81 41 E 8.58 4.53 0.00 1.78 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 2.12 2.25 0.00 42 V 8.54 4.58 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 1.00 0.00 0.00 0.92 0.00 0.00 43 Y 8.43 5.16 0.00 2.79 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 44 T 8.51 4.37 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 1.22 0.00 0.00 45 N 9.09 4.76 0.00 2.94 3.06 0.00 0.00 7.02 6.91 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 46 N 8.70 4.36 0.00 2.75 2.95 0.00 0.00 6.73 8.06 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 47 D 8.23 4.53 0.00 2.67 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 48 G 8.38 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 49 R 7.94 4.87 0.00 1.84 1.84 0.00 3.14 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.88 0.00 50 V 8.04 4.69 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 0.99 0.00 0.00 51 D 8.92 4.51 0.00 2.65 2.77 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 52 V 7.40 4.29 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 0.82 0.00 0.00 0.93 0.00 0.00 53 P 0.00 4.33 0.00 2.10 2.11 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 54 L 8.11 4.17 0.00 1.74 1.67 0.89 0.60 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 55 L 7.06 4.55 0.00 1.53 1.40 0.29 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.63 4.73 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 57 G 8.13 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 58 E 9.04 3.90 0.00 1.98 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 2.34 2.34 0.00 59 E 8.47 4.07 0.00 2.10 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 2.34 2.33 0.00 60 L 7.39 4.07 0.00 1.64 1.74 1.01 1.12 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 *62 S 7.71 5.17 0.00 4.09 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 63 G 7.91 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 0.00 0.00 0.00 64 E 7.77 4.91 0.00 1.74 1.67 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 2.27 2.24 0.00 65 Y 8.46 4.83 0.00 1.95 2.46 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 66 V 8.09 5.45 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 1.14 0.00 0.00 0.81 0.00 0.00 *68 E 8.68 4.17 0.00 1.83 1.77 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 2.19 2.23 0.00 69 F 8.67 4.51 0.00 2.92 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 70 H 8.80 4.63 0.00 3.19 3.25 0.00 5.63 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.77 4.03 1.36 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 0.00 0.00 0.00 72 G 8.93 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 73 D 8.14 4.45 0.00 2.77 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 74 Y 7.56 4.03 0.00 2.72 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 75 F 8.23 4.21 0.00 3.17 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 76 A 8.00 4.04 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 0.00 0.00 77 S 7.96 4.26 0.00 4.01 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 78 K 7.11 4.28 0.00 1.91 1.85 0.00 1.60 0.00 0.00 1.44 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.05 1.12 7.81 79 N 8.60 4.09 0.00 2.83 2.65 0.00 0.00 7.02 8.05 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 *82 A 8.47 4.28 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 83 A 7.45 4.67 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 84 D 8.68 4.71 0.00 2.70 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 85 Q 7.48 4.76 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.88 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 86 P 0.00 4.32 0.00 2.14 2.02 0.00 3.71 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.35 0.00 87 F 8.89 4.27 0.00 2.76 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 88 L 7.71 4.17 0.00 1.68 1.57 1.16 0.73 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 89 T 7.63 4.25 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 1.23 0.00 0.00 90 I 7.36 4.53 1.78 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 1.08 0.61 0.75 0.00 0.00 91 V 8.31 3.56 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 0.15 0.00 0.00 0.49 0.00 0.00 92 T 8.46 4.83 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 1.24 0.00 0.00 93 V 8.32 4.58 2.52 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 1.25 0.00 0.00 1.19 0.00 0.00 94 R 8.75 5.13 0.00 1.85 1.80 0.00 3.28 0.00 0.00 3.38 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.50 0.00 95 F 8.02 4.93 0.00 3.12 3.15 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 96 Q 8.68 4.96 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.98 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 97 L 8.86 3.98 0.00 1.70 1.21 0.54 -0.43 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 98 A 9.00 3.99 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 99 D 8.34 4.70 0.00 2.79 2.67 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 0.00 100 P 0.00 4.56 0.00 2.27 2.15 0.00 3.67 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 2.16 2.18 0.00 101 D 9.99 4.89 0.00 2.77 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 0.00 102 A 7.90 4.30 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.28 5.09 0.00 2.87 3.16 0.00 5.84 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 Y 9.10 4.56 0.00 2.74 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 0.00 105 H 8.80 5.18 0.00 3.20 3.23 0.00 5.85 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.83 4.81 1.54 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.21 0.68 0.00 0.00 107 P 0.00 4.53 0.00 1.56 1.85 0.00 2.31 0.00 0.00 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 108 L 9.13 4.70 0.00 0.75 0.90 0.73 -0.24 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 0.00 109 L 8.97 4.80 0.00 1.71 1.64 0.91 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.95 5.21 0.00 1.66 1.46 1.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 111 S 9.23 5.21 0.00 4.00 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 0.00 112 P 0.00 3.75 0.00 2.11 1.64 0.00 3.62 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.62 0.00 113 F 7.89 4.84 0.00 2.93 2.92 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 0.00 114 G 8.16 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 0.00 0.00 0.00 0.00 115 Y 8.01 5.33 0.00 3.06 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 0.00 116 Q 9.39 4.64 0.00 2.16 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.79 0.00 0.00 0.00 0.00 0.00 2.25 2.49 0.00 117 V 8.48 4.82 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 0.94 0.00 0.00 1.17 0.00 0.00 118 Y 8.13 4.84 0.00 3.16 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 0.00 119 R 8.77 4.23 0.00 1.86 1.98 0.00 3.38 0.00 0.00 3.32 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 120 G 8.58 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.66 4.48 0.00 3.93 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 * Residues marked with a * may have inaccurate shift predictions.