NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4088 8.1749 117.3742 63.4827 70.0669 173.0975 2 S 4.5894 10.1538 121.4646 55.0410 66.1048 171.5905 3 I 5.3343 8.1992 118.2811 59.4538 40.9856 174.0367 4 M 4.9739 8.9287 120.4526 54.1224 35.1738 173.3288 5 A 5.1208 8.4506 120.6121 50.2981 22.2363 175.4958 6 V 4.5030 8.9071 122.8961 61.1628 34.4783 174.5458 7 T 4.8913 8.6910 118.6111 61.1654 70.4076 174.0922 8 F 4.9461 8.3686 118.3197 55.2388 41.1835 174.3604 9 K 3.7727 9.4068 120.5544 60.0373 31.6304 177.5075 10 D 4.7678 8.6744 114.1068 53.1567 43.0135 175.8312 11 G 4.3190 5.5292 113.2471 44.8373 0.0000 175.8566 12 V 4.9501 7.8361 116.7492 60.7812 34.2006 172.6781 13 I 4.7175 8.8753 122.5106 59.6807 41.0028 174.2655 14 L 5.0968 8.6204 125.9242 53.1174 44.0026 176.0038 15 G 4.3478 9.0533 108.7926 45.0176 0.0000 171.0287 16 A 5.7229 8.5007 120.7646 51.9877 22.2389 175.5173 17 D 4.7849 8.5906 119.9798 52.0739 42.1448 176.1453 18 S 4.9533 8.3166 110.2654 57.1882 64.2598 172.9091 19 R 5.1288 8.6034 121.5191 55.6416 31.7812 175.2231 20 T 4.7064 8.8041 116.5126 60.2014 71.3127 173.0664 21 T 5.0990 8.6683 116.2444 59.9186 71.7145 174.4265 22 T 4.4753 9.0210 113.0926 60.5177 70.0547 174.6137 23 G 4.1264 8.3550 121.2589 46.5622 0.0000 172.9978 24 A 4.4503 8.6434 127.2236 51.8432 19.6189 176.3862 25 Y 4.4079 7.6060 117.8504 56.4085 39.4330 174.7923 26 I 4.0515 7.3388 127.9551 59.8310 36.1639 176.1839 27 A 4.0503 8.0992 129.2236 54.4250 18.8171 177.7425 28 N 4.7789 7.6612 111.9457 52.7228 41.8984 174.6504 29 R 4.5449 8.5903 120.9755 56.3735 30.3418 176.5651 30 V 4.5245 8.0920 111.5972 61.3760 32.6296 176.0413 31 T 3.9233 8.0548 117.5880 64.4717 69.7174 172.9464 32 D 4.8557 8.5692 124.0489 52.5728 41.8550 175.5599 33 K 4.2918 8.6077 122.8425 56.8959 33.5096 176.2715 34 L 5.0179 8.1819 121.5505 54.0101 41.9526 175.8395 35 T 4.5851 8.7899 121.4317 61.6157 71.3042 174.1619 36 R 3.2517 7.9323 126.2716 54.9778 29.6251 176.1302 37 V 3.8547 8.1831 120.6495 63.2287 32.3652 175.2143 38 H 4.7812 7.8741 117.0701 54.6314 33.0929 172.3780 39 D 4.6191 8.3532 119.8566 57.3837 40.8135 179.4096 40 K 5.0749 8.0043 116.9905 55.9310 33.2802 176.3510 41 I 5.1122 8.0871 120.7189 60.0311 41.1790 175.2238 42 W 5.3447 9.5950 127.0993 54.8995 33.4087 174.1364 43 C 5.3241 9.4258 114.6734 57.3671 33.3728 172.6154 44 C 5.3010 9.2420 117.4665 58.1580 30.3924 173.1887 45 R 4.9629 8.6403 123.7578 54.6232 31.2518 176.1131 46 S 4.5315 8.9866 117.5775 57.9054 66.8229 173.2538 47 G 3.7515 8.8850 105.8734 44.0085 0.0000 172.8897 48 S 4.1082 9.0354 113.8763 58.7487 63.1491 176.4322 49 A 4.0877 8.9915 130.0386 54.5684 18.2670 179.7245 50 A 4.0203 8.0479 118.7812 55.2513 18.2864 179.5060 51 D 4.3242 8.0644 117.5825 57.6677 40.8615 179.1341 52 T 4.0044 8.2057 110.5721 64.8337 68.6664 176.6220 53 Q 4.0523 8.6112 121.1064 58.7509 28.7856 178.4276 54 A 4.0423 7.8141 121.7281 55.1377 18.3847 179.8093 55 I 3.6372 8.2787 118.4828 64.3917 37.2094 178.3133 56 A 4.0953 8.5461 121.9450 55.4870 18.3783 179.0609 57 D 4.3559 8.4996 117.5555 58.0047 40.9667 179.6133 58 I 3.7505 7.7469 119.8786 64.1203 36.9326 178.7820 59 V 3.3617 7.7300 119.1732 65.9609 31.3047 177.5225 60 Q 4.0245 8.2570 119.7846 59.7118 28.7658 178.1412 61 Y 4.0046 7.9224 119.8242 61.1506 38.8147 177.9083 62 H 3.9110 8.1961 117.0759 58.6249 28.7106 177.7519 63 L 4.0519 8.2412 121.1426 57.1569 41.4115 179.1309 64 E 3.8800 8.1170 119.7634 59.1902 29.6356 178.6123 65 L 3.7743 7.5050 120.4305 57.9560 41.9797 178.0171 66 Y 3.8880 7.9871 119.5316 61.1969 38.5082 178.0144 67 T 4.6340 7.9696 116.3340 66.4122 68.7194 176.0756 68 S 4.1249 7.7140 115.7100 61.7846 62.9773 176.6042 69 Q 3.9404 7.1476 118.5511 57.2011 28.9481 176.6318 70 Y 4.4732 7.4694 116.9236 57.6127 39.1314 175.4786 *72 G 3.9315 7.6706 108.7180 45.1761 0.0000 172.5602 73 T 4.1927 8.5313 115.1574 63.6626 68.7251 172.5024 74 P 4.6224 0.0000 0.0000 61.7363 33.1112 176.3723 75 S 4.4715 8.0204 114.6126 58.1452 65.5659 175.4084 76 T 3.9075 8.2920 119.2312 66.5039 68.0747 176.5885 77 E 3.8631 8.0587 120.8991 59.7379 29.8516 178.6470 78 T 3.7428 8.0216 115.6087 66.6881 68.4473 176.3427 79 A 3.9029 7.8923 121.9133 55.1153 18.4249 179.5097 80 A 4.1176 7.9625 119.3005 55.4174 18.4277 179.7500 81 S 4.0921 8.2737 111.8979 61.3935 62.3657 176.7415 82 V 3.5058 7.7555 120.8067 65.9197 31.2573 177.7517 83 F 4.0881 7.9775 117.5427 60.6529 38.8008 177.4792 84 K 3.9516 8.6248 119.3094 59.6219 31.9770 178.0942 85 E 3.9704 8.3222 119.3863 59.3979 29.4796 178.8737 86 L 4.0145 8.1249 118.7452 58.1581 41.5406 179.3624 87 C 4.2261 8.2657 115.5208 62.9049 28.2524 175.3794 88 Y 4.1825 8.8221 121.4979 60.8005 38.2874 177.5541 89 E 4.0827 8.3519 118.6542 58.1514 29.7778 176.7716 90 N 5.0302 7.8392 115.9606 52.3637 39.4848 176.4287 91 K 3.8112 7.6140 120.6920 60.1781 32.6510 177.7041 92 D 4.3208 7.8680 117.9635 56.5541 41.0622 177.2642 *94 N 5.0916 7.8917 114.5570 52.5666 40.0776 173.7092 95 L 5.1275 7.4617 116.8637 53.5022 45.2929 176.9457 96 T 4.7335 8.4474 117.1059 61.4498 69.5940 171.1988 97 A 4.9561 8.2391 123.9523 49.8371 22.8468 175.4420 98 G 4.0544 9.5316 110.4570 44.5693 0.0000 172.0240 99 I 5.0350 8.3382 126.4607 59.1801 40.5028 175.1178 100 I 4.3945 8.2556 126.7823 59.4761 39.5960 174.6136 101 V 4.7614 8.3664 126.2249 61.0242 33.3960 174.4491 102 A 4.8714 9.1532 129.3248 50.3754 22.3819 174.8037 103 G 4.4794 8.6093 106.4731 45.3430 0.0000 171.4848 104 Y 4.6846 8.7392 123.9779 55.6630 40.3313 175.1844 105 D 4.1999 7.4284 124.4340 54.2128 41.6204 175.1369 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 1 T 8.17 4.41 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 1.31 0.00 0.00 2 S 10.15 4.59 0.00 3.71 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 3 I 8.20 5.33 1.87 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 1.40 0.65 0.92 0.00 0.00 4 M 8.93 4.97 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 5 A 8.45 5.12 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 6 V 8.91 4.50 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 1.11 0.00 0.00 0.94 0.00 0.00 7 T 8.69 4.89 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 1.23 0.00 0.00 8 F 8.37 4.95 0.00 3.26 3.16 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 9 K 9.41 3.77 0.00 1.86 2.17 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.84 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.49 1.54 7.81 10 D 8.67 4.77 0.00 2.85 2.61 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 11 G 5.53 4.32 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 0.00 0.00 0.00 12 V 7.84 4.95 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 0.71 0.00 0.00 1.01 0.00 0.00 13 I 8.88 4.72 1.90 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.08 0.87 0.00 0.00 14 L 8.62 5.10 0.00 1.42 1.56 0.91 0.97 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 15 G 9.05 4.35 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 0.00 16 A 8.50 5.72 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 17 D 8.59 4.78 0.00 2.68 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 18 S 8.32 4.95 0.00 3.89 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 19 R 8.60 5.13 0.00 1.79 2.03 0.00 3.17 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 20 T 8.80 4.71 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 21 T 8.67 5.10 4.43 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 1.18 0.00 0.00 22 T 9.02 4.48 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 1.27 0.00 0.00 23 G 8.36 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 0.00 0.00 0.00 24 A 8.64 4.45 1.32 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 0.00 0.00 25 Y 7.61 4.41 0.00 3.08 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 26 I 7.34 4.05 1.54 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 1.23 0.55 0.80 0.00 0.00 27 A 8.10 4.05 1.39 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 0.00 0.00 28 N 7.66 4.78 0.00 2.74 2.61 0.00 0.00 6.70 7.53 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 29 R 8.59 4.54 0.00 1.90 1.94 0.00 2.99 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 30 V 8.09 4.52 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 0.70 0.00 0.00 1.03 0.00 0.00 31 T 8.05 3.92 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 1.23 0.00 0.00 32 D 8.57 4.86 0.00 2.69 2.61 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 33 K 8.61 4.29 0.00 1.78 1.99 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.49 7.81 34 L 8.18 5.02 0.00 1.89 1.86 0.90 0.87 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 35 T 8.79 4.59 4.32 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 1.20 0.00 0.00 36 R 7.93 3.25 0.00 0.67 1.09 0.00 3.04 0.00 0.00 2.84 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.50 0.00 37 V 8.18 3.85 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 0.91 0.00 0.00 1.07 0.00 0.00 38 H 7.87 4.78 0.00 3.00 3.20 0.00 5.97 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.35 4.62 0.00 2.71 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 40 K 8.00 5.07 0.00 1.86 1.98 0.00 1.81 0.00 0.00 2.01 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.58 7.81 41 I 8.09 5.11 1.99 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 1.44 1.14 1.04 0.00 0.00 42 W 9.59 5.34 0.00 3.21 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 43 C 9.43 5.32 0.00 2.73 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 44 C 9.24 5.30 0.00 2.80 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 45 R 8.64 4.96 0.00 1.73 1.88 0.00 3.16 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 46 S 8.99 4.53 0.00 3.86 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 47 G 8.88 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 48 S 9.04 4.11 0.00 3.83 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 49 A 8.99 4.09 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 50 A 8.05 4.02 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 51 D 8.06 4.32 0.00 2.87 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 52 T 8.21 4.00 4.29 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 1.28 0.00 0.00 53 Q 8.61 4.05 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.41 2.45 0.00 54 A 7.81 4.04 1.39 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 0.00 0.00 55 I 8.28 3.64 2.20 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.88 1.13 0.00 0.00 56 A 8.55 4.10 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.50 4.36 0.00 2.90 2.75 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 58 I 7.75 3.75 2.08 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 1.33 0.64 0.98 0.00 0.00 59 V 7.73 3.36 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 0.53 0.00 0.00 -0.02 0.00 0.00 60 Q 8.26 4.02 0.00 2.08 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.49 0.00 61 Y 7.92 4.00 0.00 3.14 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 62 H 8.20 3.91 0.00 3.37 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.24 4.05 0.00 1.62 1.60 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.12 3.88 0.00 1.99 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 0.00 2.22 2.26 0.00 65 L 7.51 3.77 0.00 1.37 1.35 0.80 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.99 3.89 0.00 3.30 3.11 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 0.00 0.00 0.00 0.00 67 T 7.97 4.63 4.47 0.00 0.00 0.00 0.00 0.00 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 68 S 7.71 4.12 0.00 3.90 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.15 3.94 0.00 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.33 0.00 0.00 0.00 0.00 0.00 2.00 2.16 0.00 70 Y 7.47 4.47 0.00 2.38 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 *72 G 7.67 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 73 T 8.53 4.19 4.32 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 1.29 0.00 0.00 74 P 0.00 4.62 0.00 1.72 1.18 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.61 0.00 75 S 8.02 4.47 0.00 4.03 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 76 T 8.29 3.91 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 1.27 0.00 0.00 77 E 8.06 3.86 0.00 2.00 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 2.35 2.39 0.00 78 T 8.02 3.74 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 0.80 0.00 0.00 79 A 7.89 3.90 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 80 A 7.96 4.12 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 81 S 8.27 4.09 0.00 3.98 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 82 V 7.76 3.51 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 0.82 0.00 0.00 0.87 0.00 0.00 83 F 7.98 4.09 0.00 3.34 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 84 K 8.62 3.95 0.00 1.80 2.08 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.49 1.61 7.81 85 E 8.32 3.97 0.00 2.36 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 2.32 2.45 0.00 86 L 8.12 4.01 0.00 1.97 1.75 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 87 C 8.27 4.23 0.00 3.04 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 88 Y 8.82 4.18 0.00 2.96 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 89 E 8.35 4.08 0.00 2.39 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 0.00 2.39 2.43 0.00 90 N 7.84 5.03 0.00 2.90 2.74 0.00 0.00 6.58 8.73 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 91 K 7.61 3.81 0.00 1.75 2.02 0.00 1.39 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.29 0.00 0.00 0.00 0.00 1.35 1.30 7.81 92 D 7.87 4.32 0.00 2.73 2.72 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 *94 N 7.89 5.09 0.00 2.73 2.88 0.00 0.00 7.06 7.85 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 95 L 7.46 5.13 0.00 1.71 1.54 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 96 T 8.45 4.73 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 1.22 0.00 0.00 97 A 8.24 4.96 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 98 G 9.53 4.05 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 0.00 0.00 0.00 99 I 8.34 5.04 1.66 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 1.21 0.67 0.17 0.00 0.00 100 I 8.26 4.39 1.84 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 1.08 0.68 0.90 0.00 0.00 101 V 8.37 4.76 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 0.94 0.00 0.00 0.63 0.00 0.00 102 A 9.15 4.87 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 0.00 103 G 8.61 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 0.00 0.00 0.00 0.00 104 Y 8.74 4.68 0.00 3.00 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 0.00 105 D 7.43 4.20 0.00 2.43 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 * Residues marked with a * may have inaccurate shift predictions.