NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2675 8.2531 123.5638 52.4257 20.9459 178.1908 16 G 3.6654 7.8765 103.0908 47.7647 0.0000 173.4033 17 I 3.6337 8.0091 121.3555 63.7449 38.2017 175.7927 18 T 3.8436 7.6410 116.2409 62.9275 68.9034 174.7831 19 G 3.6427 7.1059 112.3054 44.7699 0.0000 170.6969 20 T 4.7170 7.5269 116.8319 61.5433 70.1954 174.4308 21 W 5.1597 8.9489 125.6509 55.0825 33.7627 173.9838 22 Y 5.8629 10.0512 118.9866 55.4598 41.8707 175.3035 23 N 5.5012 9.0048 120.6757 50.5734 39.9634 175.5525 24 Q 4.0656 8.6235 116.0103 59.3818 28.5913 177.8322 25 L 4.0551 7.9498 117.0562 56.0261 41.9311 177.8190 26 G 4.0810 8.0739 106.0346 44.9845 0.0000 173.7623 27 S 4.5861 8.5171 115.9562 58.6440 64.5150 173.2154 28 T 4.5737 8.9190 119.4384 61.6738 71.3816 172.9689 29 F 5.0095 9.0787 129.1565 56.5705 41.7395 173.9862 30 I 4.5572 8.4851 129.2433 59.7158 38.5675 175.4999 31 V 4.5484 8.2366 126.9689 59.7985 34.9770 174.7114 32 T 4.7110 8.9254 118.9008 61.7409 71.3899 172.7935 33 A 4.7779 8.7970 129.9295 50.1454 20.0087 177.2513 34 G 3.7944 9.5134 112.2106 45.3040 0.0000 174.2956 35 A 4.1126 8.5270 123.8654 54.7525 18.5509 178.6469 36 D 4.4022 7.9621 113.1741 54.0938 40.1163 177.0348 37 G 3.3653 8.1623 108.8059 44.8865 0.0000 172.7672 38 A 4.7937 8.0944 120.9617 50.8969 20.6527 176.9383 39 L 5.2145 8.8887 121.1985 53.1363 44.7770 175.9166 40 T 4.7800 9.1945 113.2018 59.6085 72.7109 174.5894 41 G 3.8010 7.0562 108.5165 46.4828 0.0000 170.8966 42 T 5.1905 7.9387 114.4453 60.4583 71.4547 173.5133 43 Y 5.0386 9.6604 128.7583 55.7191 42.1789 173.5608 44 E 5.3421 9.1353 127.7281 54.6165 32.1079 175.3204 45 S 5.0410 9.6480 120.7407 57.1045 63.5770 173.2377 46 A 4.7073 8.5587 124.9199 51.9300 20.3279 176.3726 47 V 4.3412 7.0503 106.7416 60.0367 35.5161 176.0583 48 G 3.6268 8.4003 110.1718 44.7027 0.0000 173.8893 49 N 4.6207 7.9930 115.2661 52.5245 37.0117 173.4975 50 A 4.9801 7.1498 121.2848 50.9383 23.0099 175.9081 51 E 4.5092 9.3389 115.8998 57.1010 32.7029 175.8367 52 S 4.1653 8.9894 116.9321 56.7704 61.9631 167.3767 53 R 4.9782 7.9664 116.5834 55.5048 31.8506 175.6669 54 Y 4.8749 9.2497 118.7183 55.9542 42.1494 175.2475 55 V 4.3174 8.6402 122.9606 62.9070 32.3772 175.0482 56 L 5.2292 8.8749 127.0199 54.4354 44.0033 175.1685 57 T 4.8571 8.7084 113.9115 61.2261 71.4942 173.0116 58 G 4.8083 8.8213 113.3373 46.7542 0.0000 171.6097 59 R 5.6040 8.6526 116.9050 54.8930 34.6770 174.1595 60 Y 5.2599 8.7232 118.4951 55.5623 41.7261 174.3800 61 D 4.3216 9.2483 121.3111 54.0822 40.8683 176.7497 62 S 4.3474 8.1735 120.5991 58.6331 64.0275 174.5526 63 A 4.6646 7.9389 123.5179 50.2495 18.7489 173.8909 64 P 4.8184 0.0000 0.0000 60.9109 32.3965 176.4780 65 A 3.9020 7.8350 122.4289 54.3581 18.5824 178.5238 *69 S 4.4483 8.1858 111.7412 57.1227 64.7650 174.8496 70 G 4.3552 7.8159 105.1956 45.8085 0.0000 173.0909 71 T 4.8347 8.8777 117.1323 61.4573 70.3754 174.5440 72 A 4.8597 8.7105 129.3408 52.1873 20.0330 175.9102 73 L 5.0232 8.6736 120.6292 55.4423 44.8079 173.8908 74 G 5.0156 9.0730 104.4791 46.1859 0.0000 172.4053 75 W 5.6452 7.8075 116.0324 55.9056 31.6952 173.1967 76 T 5.2682 9.3279 117.1562 61.8661 72.3471 173.3330 77 V 4.6539 8.6199 123.7062 61.0494 34.5809 173.8976 78 A 4.4788 8.3259 129.7390 49.5843 20.1677 177.7063 79 W 4.1068 8.6981 125.7476 56.1805 28.5513 176.4842 80 K 5.2693 7.8615 118.1717 54.7537 35.0516 174.5322 81 N 4.9657 9.0098 122.6701 52.0988 39.6958 173.5769 82 N 4.3115 8.6838 113.8454 55.9771 38.9518 175.4987 83 Y 4.4913 8.0892 114.6953 58.9233 39.3972 175.4870 84 R 4.7384 8.9013 114.5793 54.7110 32.8306 173.7309 85 N 5.0828 8.4825 116.0944 52.6800 40.2528 173.4438 86 A 4.4993 8.9721 128.1104 50.9272 19.8930 176.3063 87 H 4.1586 8.3785 113.7900 56.0420 27.0148 173.2368 88 S 5.1402 7.4404 111.4492 57.8913 67.0423 174.3013 89 A 4.9735 8.9428 120.8712 50.9094 22.8021 175.3362 90 T 4.9772 8.7048 118.1311 61.6798 72.1591 173.2739 91 T 4.8542 8.3120 115.1293 59.6094 71.8918 172.6075 92 W 4.9746 8.7477 125.8107 54.6920 31.7734 174.7585 93 S 4.9575 8.8308 119.3035 56.7483 64.9385 172.6999 94 G 4.3965 8.5519 113.7103 46.6374 0.0000 171.6384 95 Q 5.4016 8.4292 118.8193 55.0791 32.2692 173.6314 96 Y 4.8955 9.3782 124.0750 56.8604 40.6064 174.0795 97 V 4.1220 8.8952 127.3685 60.9818 33.9440 175.5497 98 G 3.9083 7.9363 116.0648 44.9330 0.0000 169.4023 99 G 3.8215 8.9215 103.9114 43.8298 0.0000 173.0821 100 A 4.1488 8.8620 121.5508 54.6363 18.5864 178.2496 101 E 4.6331 7.6940 111.9389 53.8425 29.1190 174.8740 102 A 4.4837 7.9174 125.2117 53.4147 19.6496 177.5993 103 R 5.3474 9.3060 119.3807 54.8157 35.6722 174.5168 104 I 4.8277 8.9791 121.8719 59.9006 40.2919 174.3764 105 N 5.3842 9.1325 126.3655 52.1782 40.0923 174.7904 106 T 5.3197 9.4201 113.9023 60.0341 73.1662 172.7000 107 Q 5.1731 9.1935 120.6422 53.8345 32.6994 174.7789 108 W 5.4025 8.5026 119.2423 54.6046 32.3314 173.8269 109 L 5.2617 8.5747 120.6376 52.9157 44.6797 175.2070 110 L 4.9746 9.3227 126.4837 53.7919 44.4806 174.8282 111 T 5.0083 8.6737 124.0045 62.1301 70.5426 174.3337 112 S 5.1121 8.9256 122.9850 56.7986 65.0538 174.2544 113 G 3.9403 8.9290 111.6953 46.3568 0.0000 173.2309 114 T 4.7949 8.2899 114.0823 59.5803 72.3968 173.2955 115 T 4.2729 8.0593 112.1225 61.0225 69.3848 175.4002 116 E 4.0173 8.6483 120.4705 59.1421 29.6580 179.5353 117 A 4.1647 7.5075 121.4870 54.2854 18.7169 177.8080 118 N 4.7777 7.9826 111.1099 52.9095 39.2657 176.4946 119 A 4.0802 8.0525 123.2660 54.2296 18.6431 180.4410 120 W 4.3727 8.3896 112.2052 58.6244 28.1703 176.6352 121 K 4.2014 6.4537 117.8149 55.9130 32.2916 177.2128 122 S 4.2529 7.6695 115.8535 60.7786 63.8594 173.4028 123 T 5.1083 7.6639 117.3560 61.6669 70.6962 173.5115 124 L 4.8940 9.1344 126.6377 53.0776 44.5492 175.8806 125 V 4.4600 7.9497 120.3774 60.2423 34.5110 174.9305 126 G 3.0682 6.6345 108.8717 45.4667 0.0000 170.8421 127 H 5.4099 7.9610 113.8545 54.0792 31.6489 172.6931 128 D 5.2066 9.3258 120.1395 52.9751 45.3733 174.4953 129 T 5.1132 8.8348 118.9499 61.9650 71.2782 173.0633 130 F 5.6458 9.7119 126.2477 56.2282 41.4980 175.1839 131 T 5.5315 9.6937 112.7485 60.0552 72.6124 174.4935 132 K 4.3084 8.7622 119.4492 56.7242 32.4641 177.5230 133 V 3.8504 7.7273 124.3196 62.9670 31.4646 175.3793 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 15 A 8.25 4.27 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 0.00 0.00 0.00 0.00 0.00 16 G 7.88 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 0.00 0.00 0.00 17 I 8.01 3.63 1.30 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 -0.36 0.44 0.00 0.00 18 T 7.64 3.84 4.13 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 0.00 0.00 0.00 1.09 0.00 0.00 19 G 7.11 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.53 4.72 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 0.79 0.00 0.00 21 W 8.95 5.16 0.00 3.28 3.33 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 10.05 5.86 0.00 2.98 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 23 N 9.00 5.50 0.00 2.35 1.65 0.00 0.00 6.48 7.00 0.00 0.00 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 Q 8.62 4.07 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 25 L 7.95 4.06 0.00 1.91 1.83 0.99 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.07 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 0.00 0.00 0.00 0.00 27 S 8.52 4.59 0.00 4.09 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 28 T 8.92 4.57 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 0.98 0.00 0.00 29 F 9.08 5.01 0.00 2.52 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 30 I 8.49 4.56 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.46 0.75 0.00 0.00 31 V 8.24 4.55 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 0.00 0.00 0.09 0.00 0.00 0.51 0.00 0.00 32 T 8.93 4.71 4.14 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 1.14 0.00 0.00 33 A 8.80 4.78 0.69 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 0.00 0.00 34 G 9.51 3.79 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 0.00 0.00 0.00 35 A 8.53 4.11 1.31 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 36 D 7.96 4.40 0.00 2.78 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 37 G 8.16 3.37 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 0.00 38 A 8.09 4.79 1.34 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 0.00 0.00 39 L 8.89 5.21 0.00 1.78 1.53 1.10 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 40 T 9.19 4.78 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 1.21 0.00 0.00 41 G 7.06 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 42 T 7.94 5.19 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 1.17 0.00 0.00 43 Y 9.66 5.04 0.00 3.04 2.86 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 44 E 9.14 5.34 0.00 2.05 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 2.28 2.47 0.00 45 S 9.65 5.04 0.00 4.28 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 46 A 8.56 4.71 1.34 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 0.00 0.00 47 V 7.05 4.34 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 0.72 0.00 0.00 0.84 0.00 0.00 48 G 8.40 3.63 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 0.00 0.00 0.00 49 N 7.99 4.62 0.00 2.70 2.64 0.00 0.00 6.53 8.15 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 50 A 7.15 4.98 1.24 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 0.00 0.00 51 E 9.34 4.51 0.00 2.03 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 2.28 2.15 0.00 52 S 8.99 4.17 0.00 3.61 4.13 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 0.00 0.00 0.00 0.00 53 R 7.97 4.98 0.00 1.73 1.87 0.00 3.21 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 54 Y 9.25 4.87 0.00 2.85 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 55 V 8.64 4.32 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 0.81 0.00 0.00 0.96 0.00 0.00 56 L 8.87 5.23 0.00 2.02 1.80 0.87 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.71 4.86 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 1.26 0.00 0.00 58 G 8.82 4.81 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 0.00 0.00 0.00 59 R 8.65 5.60 0.00 1.76 1.80 0.00 3.33 0.00 0.00 3.42 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.58 0.00 60 Y 8.72 5.26 0.00 3.09 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 61 D 9.25 4.32 0.00 2.79 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 62 S 8.17 4.35 0.00 3.95 3.31 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 63 A 7.94 4.66 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 64 P 0.00 4.82 0.00 2.27 2.17 0.00 3.44 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 2.07 2.05 0.00 65 A 7.83 3.90 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 *69 S 8.19 4.45 0.00 3.89 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 70 G 7.82 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 0.00 0.00 0.00 0.00 71 T 8.88 4.83 4.59 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 1.50 0.00 0.00 72 A 8.71 4.86 1.31 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 73 L 8.67 5.02 0.00 2.07 1.96 0.95 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.07 5.02 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 75 W 7.81 5.65 0.00 3.54 3.29 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 76 T 9.33 5.27 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 1.18 0.00 0.00 77 V 8.62 4.65 1.53 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 -0.48 0.00 0.00 0.84 0.00 0.00 78 A 8.33 4.48 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 79 W 8.70 4.11 0.00 3.24 2.86 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 80 K 7.86 5.27 0.00 1.93 1.73 0.00 1.79 0.00 0.00 1.80 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.47 7.81 81 N 9.01 4.97 0.00 2.68 2.56 0.00 0.00 7.05 8.61 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 82 N 8.68 4.31 0.00 2.16 2.36 0.00 0.00 6.69 7.46 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 83 Y 8.09 4.49 0.00 3.09 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 84 R 8.90 4.74 0.00 2.02 2.09 0.00 2.90 0.00 0.00 3.34 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.88 0.00 85 N 8.48 5.08 0.00 2.67 2.64 0.00 0.00 6.89 7.96 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 86 A 8.97 4.50 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.38 4.16 0.00 3.35 3.31 0.00 5.65 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 7.44 5.14 0.00 4.01 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 89 A 8.94 4.97 1.16 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 90 T 8.70 4.98 3.52 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 -0.47 0.00 0.00 91 T 8.31 4.85 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 92 W 8.75 4.97 0.00 1.78 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 0.00 0.00 0.00 93 S 8.83 4.96 0.00 3.79 3.63 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 94 G 8.55 4.40 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 0.00 95 Q 8.43 5.40 0.00 2.32 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.11 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 96 Y 9.38 4.90 0.00 2.99 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 97 V 8.90 4.12 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 0.94 0.00 0.00 0.92 0.00 0.00 98 G 7.94 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 99 G 8.92 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 0.00 100 A 8.86 4.15 1.31 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 0.00 101 E 7.69 4.63 0.00 2.09 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 0.00 2.18 2.30 0.00 102 A 7.92 4.48 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 0.00 103 R 9.31 5.35 0.00 1.80 1.90 0.00 3.15 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.75 0.00 104 I 8.98 4.83 1.87 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.36 1.10 0.00 0.00 105 N 9.13 5.38 0.00 2.74 2.83 0.00 0.00 6.14 6.46 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 0.00 106 T 9.42 5.32 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 1.44 0.00 0.00 107 Q 9.19 5.17 0.00 1.92 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.22 2.26 0.00 108 W 8.50 5.40 0.00 2.55 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 L 8.57 5.26 0.00 1.53 1.54 0.87 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.32 4.97 0.00 1.45 1.67 0.89 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.67 5.01 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 0.00 112 S 8.93 5.11 0.00 3.65 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 0.00 113 G 8.93 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 0.00 114 T 8.29 4.79 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 1.16 0.00 0.00 115 T 8.06 4.27 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 0.00 116 E 8.65 4.02 0.00 2.07 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 0.00 2.41 2.32 0.00 117 A 7.51 4.16 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 0.00 118 N 7.98 4.78 0.00 2.67 2.65 0.00 0.00 6.73 8.64 0.00 0.00 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 A 8.05 4.08 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.39 4.37 0.00 3.57 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 0.00 121 K 6.45 4.20 0.00 1.17 0.74 0.00 0.97 0.00 0.00 1.25 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.30 0.21 7.81 122 S 7.67 4.25 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 0.00 123 T 7.66 5.11 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 0.00 124 L 9.13 4.89 0.00 1.73 1.72 0.94 0.59 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 0.00 125 V 7.95 4.46 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 0.55 0.00 0.00 0.68 0.00 0.00 126 G 6.63 3.07 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 0.00 127 H 7.96 5.41 0.00 3.16 3.11 0.00 5.67 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.33 5.21 0.00 3.04 2.32 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.83 5.11 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 1.38 0.00 0.00 130 F 9.71 5.65 0.00 3.08 3.32 0.00 0.00 0.00 0.00 0.00 0.00 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 9.69 5.53 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 1.40 0.00 0.00 132 K 8.76 4.31 0.00 1.53 1.64 0.00 1.23 0.00 0.00 1.21 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.43 0.21 7.81 133 V 7.73 3.85 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 0.72 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.