NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 L 4.6226 8.1849 122.6853 55.2250 42.6520 176.0234 6 T 4.3597 8.9009 123.6640 59.5947 70.7462 171.8228 7 P 4.7001 0.0000 0.0000 62.5748 33.0984 176.1430 8 V 4.4018 9.0427 122.1560 61.3773 34.4361 174.1195 9 I 4.7961 8.5716 128.7373 59.6366 39.3976 174.7033 10 C 4.6696 8.8069 127.4815 57.1049 32.5197 173.9311 11 E 3.9198 8.9925 128.8996 60.0518 29.2445 179.0112 12 S 4.2547 8.0060 113.3932 59.1311 62.7321 177.0348 13 A 4.5499 7.5638 122.0362 50.8904 19.7491 175.6199 14 P 4.4125 0.0000 0.0000 62.1235 32.1006 176.5028 15 A 4.1043 8.3288 123.1960 51.6075 18.9059 177.7031 16 A 3.7003 8.3985 124.5975 52.4310 18.6519 178.4595 17 A 4.0129 8.6136 124.5516 53.7266 18.9735 176.3802 18 A 4.4700 6.4447 116.9578 51.3317 22.2220 177.2046 19 S 4.4228 8.3635 111.0015 57.6515 60.1290 172.8176 20 Y 4.9052 6.8711 119.8430 55.1648 40.0783 175.7260 21 S 4.6057 8.4951 117.0919 57.9257 64.5054 175.0843 22 H 4.7237 8.5431 118.6779 59.0314 29.5362 175.2941 23 A 5.0973 7.6310 115.0046 51.3645 23.3110 175.0490 24 M 5.1540 9.1358 118.6976 53.9912 36.0937 173.8855 25 K 5.1489 9.1323 126.1177 54.8576 34.8909 175.7910 26 V 4.5661 9.0619 125.5795 59.4217 32.7663 176.8872 27 N 4.0161 8.9625 130.2737 55.7313 37.4475 177.0044 28 N 4.7007 8.8714 126.4891 53.5963 38.2122 173.8555 29 L 4.9918 7.9493 118.6719 54.4526 43.9830 175.6253 30 I 4.9312 8.8425 124.2020 59.6504 40.0140 174.4360 31 F 4.8192 9.4166 127.0224 55.9165 39.6273 175.0296 32 L 5.0605 8.7600 124.5612 53.3916 43.6511 176.8718 33 S 4.4930 8.8167 119.0265 57.8903 63.9936 174.3387 34 G 3.7914 8.2915 109.2240 46.1493 0.0000 172.9465 35 Q 5.0099 9.3375 125.0051 54.1897 31.2759 174.8421 36 I 4.7625 7.9506 115.3003 60.0216 40.8378 174.5171 37 P 3.3654 0.0000 0.0000 64.3437 30.7497 178.4646 38 V 3.1258 9.1207 118.4800 65.5025 30.9272 173.3103 39 T 4.4737 9.4897 120.0249 59.5989 69.0949 170.1204 40 P 4.4288 0.0000 0.0000 66.6153 31.3898 177.3943 41 D 4.7738 8.1574 119.7927 54.4051 40.2051 182.3779 42 N 4.2471 7.7219 116.6005 54.3040 35.2979 176.9829 43 K 4.8369 7.4829 122.0508 54.7221 34.6856 179.4858 44 L 4.0300 8.4370 125.0527 54.4598 41.9523 175.9852 45 V 4.1757 8.4148 123.5765 62.5719 32.6107 175.7672 46 E 4.8332 9.7331 122.7959 53.9757 33.8434 172.5187 47 G 4.0106 8.1617 110.8481 44.3999 0.0000 174.7122 48 S 4.5640 8.7870 121.8369 57.2792 65.5458 175.3262 49 I 3.6820 8.2024 122.7506 64.6020 36.8868 178.5123 50 A 4.0328 8.1744 121.0391 55.2933 18.1773 179.2766 51 D 4.3479 8.1944 117.4527 57.4735 41.0015 179.1765 52 K 4.1412 8.2762 118.8927 59.2657 32.0644 179.2890 53 A 4.2134 8.4890 121.5671 54.9828 18.2633 179.0998 54 E 3.8338 8.1442 117.8165 59.6761 29.6955 178.9976 55 Q 4.0150 7.8693 120.4138 59.6770 29.1245 178.9386 56 V 3.6727 7.6881 120.1967 66.4381 31.6809 180.4469 57 I 3.9209 7.8473 120.5051 63.8727 36.7404 178.7260 58 Q 3.9568 7.8850 119.3755 58.8650 28.5291 178.3104 59 N 4.3663 8.6043 118.0247 56.2979 38.5217 177.5004 60 I 3.7383 7.8896 121.2296 64.1875 37.1397 178.2974 61 K 3.9105 8.1838 120.4465 59.6763 32.0044 178.4841 62 N 4.3057 8.1639 116.6451 56.4441 38.6066 177.5923 63 V 3.6121 7.8914 119.5471 65.8662 31.4937 178.0767 64 L 4.0891 8.3417 121.4322 58.3284 41.4386 179.8704 65 E 4.0967 8.4419 118.1517 61.2876 29.5076 181.0012 66 A 4.2822 8.0430 120.4369 54.2727 18.4314 178.8270 67 S 4.4590 7.5754 111.4675 57.5549 63.7101 173.3240 68 N 4.1569 8.3967 118.8533 54.4399 37.1815 172.4322 69 S 4.5805 8.2353 111.4603 57.5101 66.0764 171.6188 70 S 4.7034 8.1003 113.0389 56.8698 66.0029 174.8170 71 L 4.0909 8.6368 122.5245 58.6314 41.3815 179.5545 72 D 4.5531 8.0532 114.4719 54.2922 40.0225 179.5727 73 R 4.5559 7.9225 116.8975 56.6404 30.8116 175.7681 74 V 4.1186 7.6162 118.6346 62.9826 32.4211 175.5909 75 V 4.1398 9.1806 127.3846 64.3470 33.1302 175.4825 76 K 5.0670 7.6503 120.0208 54.7795 36.0309 174.6912 77 V 4.8794 8.6754 125.7721 61.1142 35.1591 173.7477 78 N 5.2712 8.9422 123.9351 51.4011 41.9963 173.2923 79 I 4.6692 8.0561 124.1516 59.2353 40.6449 174.5132 80 F 5.1786 8.9722 125.0781 55.6130 42.0895 174.1790 81 L 5.2298 8.7899 123.3114 52.8875 44.0777 177.4872 82 A 4.4553 8.6561 123.9748 53.9022 19.4256 177.4645 83 D 4.5272 7.8446 115.0656 51.4782 44.1612 175.5610 84 I 3.6813 8.5624 126.5596 64.2440 37.7813 176.9445 85 N 4.4902 8.5768 115.7436 55.1661 38.5486 175.6478 86 H 4.9070 8.2269 120.0243 56.4976 29.1133 177.1676 *87 F 4.0554 8.3256 124.1325 62.1054 37.6871 182.0758 88 A 4.3068 8.0733 120.2336 55.3524 17.7082 179.1296 89 E 3.9014 8.2674 116.7979 59.3369 29.6863 178.7289 90 F 4.1071 8.5833 120.7481 61.4673 39.5820 176.5873 91 N 4.2455 9.0322 116.7672 56.6329 38.1236 177.1971 92 S 4.1394 8.1259 115.5969 61.9015 63.2863 176.8814 93 V 3.7276 7.3692 119.7744 65.9761 31.3027 177.1595 94 Y 3.9816 7.7776 119.1633 60.8931 38.3148 178.2004 95 A 4.1310 8.0420 120.1472 55.0417 18.4680 179.4205 96 K 3.9762 7.8456 116.2495 58.9974 32.1563 178.2569 97 Y 4.1376 7.6403 115.6420 57.4444 38.5804 175.2881 98 F 4.6477 7.7208 119.2406 56.3407 40.1403 173.6084 99 N 4.8833 8.4057 121.7147 54.6157 40.4582 174.5042 100 T 4.0743 8.0211 110.5846 63.0587 68.9710 176.3487 101 H 4.8480 8.2510 123.6759 54.6280 31.2020 174.6660 102 K 4.4546 8.1358 127.6098 51.8020 33.0584 170.8016 103 P 4.5757 0.0000 0.0000 61.1050 32.5087 176.2508 104 A 4.2568 8.5562 122.9860 52.6683 19.5111 176.5535 105 R 5.5204 7.9757 117.4606 56.2497 33.3152 173.9373 106 S 4.6698 8.2221 116.6543 57.0523 66.4817 172.1114 107 C 5.3390 8.1217 123.8568 58.1761 34.3234 173.2688 108 V 4.6121 8.1002 117.4181 59.6809 36.3848 173.6709 109 A 4.9867 8.5437 124.0673 50.8211 20.2756 177.2034 110 V 4.2885 8.7325 116.4461 59.5509 33.9359 176.4585 111 A 4.0580 8.6247 123.7520 55.1750 18.4339 177.4968 112 A 4.5837 7.2848 114.6706 51.4524 22.1605 174.8253 113 L 4.8662 7.9352 118.1220 51.7662 45.8508 174.7112 114 P 4.4375 0.0000 0.0000 64.3394 31.6176 177.1649 115 L 3.6277 9.3751 119.9087 55.1556 39.2886 175.1486 116 G 3.8842 8.2407 105.4049 46.1873 0.0000 174.7677 117 V 3.8797 7.2895 112.7441 61.3814 32.2102 175.9039 118 D 4.9122 8.4097 119.3979 54.9287 41.7522 175.9457 119 M 5.0713 7.5912 113.6869 54.6949 33.4223 173.7921 120 E 4.9424 8.9109 120.7707 55.1466 33.8750 173.4211 121 M 5.3375 9.3114 126.3797 53.7306 35.6741 173.8659 122 E 5.2132 9.0920 122.7924 54.8833 33.6811 174.2145 123 A 5.1044 8.0956 120.6885 51.1455 23.5839 175.1170 124 I 4.7787 8.8490 119.2802 59.5597 41.0396 175.0521 125 A 5.0754 9.0456 127.0567 50.3190 23.3385 174.0630 126 A 4.9795 8.7710 121.0161 50.2806 21.1890 176.9046 127 E 4.2222 9.1412 121.9468 56.2957 29.3476 175.7717 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 5 L 8.18 4.62 0.00 1.45 1.58 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 6 T 8.90 4.36 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 7 P 0.00 4.70 0.00 1.95 2.01 0.00 3.64 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 2.04 2.10 0.00 8 V 9.04 4.40 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 1.03 0.00 0.00 1.04 0.00 0.00 9 I 8.57 4.80 1.91 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 1.24 0.79 0.96 0.00 0.00 10 C 8.81 4.67 0.00 2.92 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 11 E 8.99 3.92 0.00 2.12 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 2.28 2.26 0.00 12 S 8.01 4.25 0.00 3.65 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 13 A 7.56 4.55 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.41 0.00 2.12 2.04 0.00 3.72 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.22 0.00 15 A 8.33 4.10 1.22 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 16 A 8.40 3.70 0.40 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 17 A 8.61 4.01 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 18 A 6.44 4.47 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 19 S 8.36 4.42 0.00 3.83 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 20 Y 6.87 4.91 0.00 2.99 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 21 S 8.50 4.61 0.00 4.05 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 22 H 8.54 4.72 0.00 3.31 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 7.63 5.10 1.27 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 0.00 0.00 0.00 24 M 9.14 5.15 0.00 2.16 1.91 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 2.52 2.55 0.00 25 K 9.13 5.15 0.00 1.78 1.75 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.56 7.81 26 V 9.06 4.57 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 1.09 0.00 0.00 0.97 0.00 0.00 27 N 8.96 4.02 0.00 2.92 2.02 0.00 0.00 7.02 8.00 0.00 0.00 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 8.87 4.70 0.00 2.64 2.80 0.00 0.00 6.54 6.67 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 29 L 7.95 4.99 0.00 1.80 1.67 0.77 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 30 I 8.84 4.93 1.92 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 1.26 0.79 0.95 0.00 0.00 31 F 9.42 4.82 0.00 3.04 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 32 L 8.76 5.06 0.00 1.79 1.63 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.82 4.49 0.00 3.83 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 34 G 8.29 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 Q 9.34 5.01 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 36 I 7.95 4.76 1.90 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 1.40 0.72 0.99 0.00 0.00 37 P 0.00 3.37 0.00 2.09 1.91 0.00 3.82 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 2.06 2.17 0.00 38 V 9.12 3.13 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 0.83 0.00 0.00 0.96 0.00 0.00 39 T 9.49 4.47 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 40 P 0.00 4.43 0.00 2.04 2.33 0.00 3.64 0.00 0.00 3.89 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 D 8.16 4.77 0.00 2.60 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 42 N 7.72 4.25 0.00 2.81 2.74 0.00 0.00 6.59 7.32 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 43 K 7.48 4.84 0.00 1.46 1.67 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.28 1.23 7.81 44 L 8.44 4.03 0.00 1.43 1.48 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.41 4.18 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 0.92 0.00 0.00 0.95 0.00 0.00 46 E 9.73 4.83 0.00 1.98 1.65 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 0.00 2.10 1.83 0.00 47 G 8.16 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 48 S 8.79 4.56 0.00 4.12 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 49 I 8.20 3.68 2.05 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.96 0.99 0.00 0.00 50 A 8.17 4.03 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 8.19 4.35 0.00 3.01 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 52 K 8.28 4.14 0.00 2.01 1.90 0.00 1.77 0.00 0.00 1.67 0.00 0.00 3.09 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.55 7.81 53 A 8.49 4.21 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 54 E 8.14 3.83 0.00 2.34 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 0.00 2.36 2.43 0.00 55 Q 7.87 4.01 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.54 0.00 0.00 0.00 0.00 0.00 2.47 2.52 0.00 56 V 7.69 3.67 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 0.76 0.00 0.00 0.93 0.00 0.00 57 I 7.85 3.92 1.21 0.00 0.00 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 1.55 0.50 0.03 0.00 0.00 58 Q 7.88 3.96 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 59 N 8.60 4.37 0.00 2.87 2.99 0.00 0.00 7.02 7.12 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 60 I 7.89 3.74 2.06 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.94 1.00 0.00 0.00 61 K 8.18 3.91 0.00 1.93 1.97 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.51 7.81 62 N 8.16 4.31 0.00 2.97 2.85 0.00 0.00 6.72 7.48 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 63 V 7.89 3.61 2.25 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 1.10 0.00 0.00 0.99 0.00 0.00 64 L 8.34 4.09 0.00 1.97 1.73 1.04 0.91 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 65 E 8.44 4.10 0.00 1.96 1.96 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 2.25 2.20 0.00 66 A 8.04 4.28 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 67 S 7.58 4.46 0.00 4.04 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 68 N 8.40 4.16 0.00 2.87 3.04 0.00 0.00 6.78 7.15 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 69 S 8.24 4.58 0.00 3.80 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 70 S 8.10 4.70 0.00 3.98 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 71 L 8.64 4.09 0.00 1.72 1.76 0.93 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 D 8.05 4.55 0.00 2.70 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.92 4.56 0.00 2.01 2.06 0.00 3.08 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 74 V 7.62 4.12 2.29 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 0.73 0.00 0.00 1.16 0.00 0.00 75 V 9.18 4.14 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 0.82 0.00 0.00 0.89 0.00 0.00 76 K 7.65 5.07 0.00 1.81 1.49 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.37 1.44 7.81 77 V 8.68 4.88 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 0.94 0.00 0.00 0.77 0.00 0.00 78 N 8.94 5.27 0.00 2.68 2.23 0.00 0.00 6.62 6.88 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 79 I 8.06 4.67 1.48 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 1.23 1.24 0.12 0.00 0.00 80 F 8.97 5.18 0.00 2.95 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 81 L 8.79 5.23 0.00 1.51 1.50 0.84 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 82 A 8.66 4.46 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 83 D 7.84 4.53 0.00 2.54 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 0.00 0.00 0.00 0.00 84 I 8.56 3.68 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.89 0.00 0.00 85 N 8.58 4.49 0.00 2.78 2.84 0.00 0.00 7.00 7.75 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 86 H 8.23 4.91 0.00 3.37 3.33 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *87 F 8.33 4.06 0.00 2.25 2.30 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 88 A 8.07 4.31 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 89 E 8.27 3.90 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 2.43 2.41 0.00 90 F 8.58 4.11 0.00 3.28 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 91 N 9.03 4.25 0.00 2.95 2.92 0.00 0.00 7.09 7.18 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 92 S 8.13 4.14 0.00 4.05 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 93 V 7.37 3.73 1.92 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 1.02 0.00 0.00 0.93 0.00 0.00 94 Y 7.78 3.98 0.00 2.52 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 95 A 8.04 4.13 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 96 K 7.85 3.98 0.00 1.72 1.69 0.00 1.63 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.43 1.72 7.81 97 Y 7.64 4.14 0.00 2.48 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 0.00 0.00 0.00 98 F 7.72 4.65 0.00 2.66 3.02 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 99 N 8.41 4.88 0.00 2.68 2.60 0.00 0.00 6.81 7.71 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 0.00 100 T 8.02 4.07 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 0.00 101 H 8.25 4.85 0.00 3.09 3.35 0.00 5.83 0.00 0.00 0.00 0.00 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 K 8.14 4.45 0.00 1.76 1.57 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.24 0.98 7.81 103 P 0.00 4.58 0.00 1.70 1.99 0.00 3.28 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 2.11 0.00 104 A 8.56 4.26 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 0.00 105 R 7.98 5.52 0.00 1.71 1.67 0.00 2.21 0.00 0.00 3.55 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.34 0.00 106 S 8.22 4.67 0.00 3.79 3.49 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 0.00 107 C 8.12 5.34 0.00 2.76 2.60 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 0.00 0.00 0.00 108 V 8.10 4.61 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 0.68 0.00 0.00 1.03 0.00 0.00 109 A 8.54 4.99 1.23 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 0.00 110 V 8.73 4.29 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 0.81 0.00 0.00 1.06 0.00 0.00 111 A 8.62 4.06 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 0.00 112 A 7.28 4.58 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.94 4.87 0.00 1.75 1.50 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 114 P 0.00 4.44 0.00 2.18 1.99 0.00 3.71 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 115 L 9.38 3.63 0.00 1.79 1.78 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.24 3.88 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 0.00 117 V 7.29 3.88 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 0.76 0.00 0.00 1.06 0.00 0.00 118 D 8.41 4.91 0.00 2.60 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 0.00 119 M 7.59 5.07 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 120 E 8.91 4.94 0.00 2.06 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 2.29 2.39 0.00 121 M 9.31 5.34 0.00 2.18 1.91 0.00 0.00 0.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 122 E 9.09 5.21 0.00 2.25 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 0.00 2.37 2.28 0.00 123 A 8.10 5.10 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 0.00 124 I 8.85 4.78 1.68 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 0.80 0.90 0.25 0.00 0.00 125 A 9.05 5.08 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 0.00 126 A 8.77 4.98 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.14 4.22 0.00 1.95 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 2.27 2.46 0.00 * Residues marked with a * may have inaccurate shift predictions.