NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 F 4.8236 8.1833 119.3927 56.9505 41.5049 176.7276 4 K 3.9205 8.0155 121.2196 58.2500 31.8555 177.2408 5 K 3.9549 8.1904 119.7732 59.5401 32.5808 178.6046 6 V 3.6542 7.8130 117.8748 65.7682 31.5954 177.7684 7 A 4.0776 8.1422 120.7224 54.9807 18.1852 179.8007 8 K 4.0139 8.2799 117.2041 59.5321 32.1255 179.3909 9 E 4.1022 8.0867 118.9678 59.3112 29.3663 179.3627 10 T 3.8997 8.0287 115.8781 66.4873 68.5103 176.6972 11 A 4.0006 8.1559 122.7770 55.0578 18.4055 179.7160 12 I 3.6789 7.7660 118.3767 64.8496 37.1553 178.7551 13 T 3.8970 7.9785 116.4427 66.6062 68.2926 176.5719 14 L 4.0536 8.1526 121.0301 57.8890 41.8098 179.1944 15 Q 3.9887 8.1173 119.3780 59.5029 28.9408 178.6661 16 S 4.6799 8.1981 115.2713 61.1539 62.4620 175.4826 17 Y 4.1247 8.3820 122.3213 60.4714 38.4883 177.6889 18 L 4.0960 8.6668 120.5508 57.6285 41.6457 179.4438 19 T 3.8496 7.7407 115.6781 66.7001 68.3812 176.0825 20 Y 3.8989 7.8362 121.5259 60.6743 38.7253 177.7935 21 Q 3.3791 7.8885 120.1991 58.5686 28.9951 178.0191 22 A 3.9128 7.9163 122.2778 54.9552 18.3536 179.6852 23 V 3.5198 7.8664 117.0192 66.0304 31.5366 178.3233 24 R 3.6902 7.6963 118.4410 59.1435 29.9067 178.3316 25 L 3.8553 7.5115 119.8420 58.3323 42.1436 178.9861 26 I 3.7206 7.8726 119.8343 64.3414 36.9669 178.3984 27 S 4.1078 8.2391 114.3704 61.1863 61.8654 175.9663 28 Q 3.8942 8.0644 122.2526 59.3129 28.7759 177.8336 29 Q 3.9492 8.0838 119.0445 59.3160 28.7897 179.7326 30 L 4.0101 8.1172 119.7426 57.8457 41.4901 179.4625 31 S 4.2562 8.0265 115.4485 62.1902 62.5300 177.0290 32 E 4.2013 7.4658 120.5832 61.0203 29.8486 182.3647 33 T 4.4192 7.4021 115.7131 65.1413 70.2156 175.6041 34 N 5.0073 8.2082 119.5098 49.5067 39.3284 172.9907 35 P 4.3706 0.0000 0.0000 65.6908 31.5397 178.5158 36 G 3.8201 8.2044 104.9199 48.0400 0.0000 175.3999 37 Q 4.0795 8.1112 120.1732 58.2783 28.6255 178.6349 38 A 4.0689 7.9252 121.5519 55.2363 18.4944 179.6588 39 I 3.6932 7.7078 118.0177 64.4910 37.2759 178.3276 40 W 4.1726 8.3134 129.0717 60.6175 30.4634 177.7051 41 L 4.0859 8.4665 120.4728 57.7880 40.9901 179.2122 42 G 3.6024 7.9690 106.0491 47.8672 0.0000 175.7032 43 E 3.9796 7.9395 120.0271 58.7248 29.7051 179.0003 44 F 3.9041 7.6564 120.8554 61.0571 39.2413 177.4834 45 S 4.5463 7.8757 112.7818 60.8335 62.6347 176.0087 46 K 4.1998 7.4146 119.5294 58.1456 32.2856 178.3835 47 R 4.1901 7.4470 116.2080 56.0462 30.3861 176.1252 48 H 4.6701 7.0547 115.4666 52.8922 31.6680 171.0441 49 P 4.4545 0.0000 0.0000 62.1832 31.7599 177.2705 50 I 3.2831 8.3534 123.6389 63.3136 38.2043 176.6480 51 Q 4.0897 8.1264 118.5361 58.6733 29.0190 177.1442 52 E 4.4252 7.7019 118.6655 54.2893 28.2165 176.2844 53 S 4.1203 8.1197 119.9577 62.2481 63.3362 176.1461 54 D 4.4728 8.1202 120.4098 57.4676 40.6624 178.8523 55 L 4.0457 7.9694 119.1155 57.7943 41.4601 178.6426 56 Y 4.1333 8.0105 118.7812 60.8811 38.8524 177.9486 57 L 4.2737 8.1355 118.6498 57.4945 41.8454 178.9254 58 E 4.2552 8.3488 118.0675 58.5358 30.5973 178.7330 59 A 4.2566 7.5724 121.6368 51.4855 15.9899 177.1095 *62 L 4.3093 7.7905 120.0820 53.8342 44.0307 177.6028 63 E 4.5810 7.8755 115.2602 56.3606 31.9745 175.6464 64 N 4.4508 7.3992 114.6734 51.5119 40.0076 174.4395 65 K 3.9891 8.2873 125.1743 58.8957 32.2913 178.5525 66 E 3.9669 7.9645 117.5936 59.2171 29.6705 178.7590 67 L 3.9328 7.7309 120.8571 57.7532 42.0774 179.2328 68 V 3.5874 7.5875 118.0750 66.0405 31.3381 178.0688 69 L 4.0283 7.9788 118.6930 57.6961 41.3144 179.6066 70 R 3.9129 7.8536 118.6057 59.3434 30.1702 178.5332 71 I 3.7135 7.5435 119.2656 64.3859 36.9657 178.3397 72 L 4.0352 7.9658 119.7849 58.1054 41.5370 179.8547 73 T 3.8808 7.5514 115.4995 66.7278 68.6174 177.2097 74 V 3.6786 8.0355 120.2807 65.5265 31.3967 178.0683 75 R 4.0418 7.9188 115.7902 58.8383 29.5127 178.3640 76 E 3.9224 8.0068 120.1990 59.0604 29.5723 178.5627 77 N 4.3296 8.0649 116.2557 56.2267 38.7285 177.4331 78 L 3.9888 7.8920 119.8185 57.5238 41.6063 179.4210 79 A 4.0550 8.1907 120.8364 55.3963 18.1894 179.6675 80 E 3.9604 8.2530 116.0066 59.2780 29.5900 179.4484 81 G 3.7481 8.1371 104.4272 46.4479 0.0000 174.3765 82 V 4.2832 7.2907 117.3945 63.7199 34.4115 177.0899 83 L 3.9551 8.2596 120.0253 58.2895 41.1997 179.4695 84 E 3.9015 7.7789 116.2885 59.2476 29.6330 178.6902 85 F 4.8179 7.5935 116.3662 58.9585 38.9606 177.9924 86 L 4.0370 7.8481 118.9601 57.5909 41.8345 176.7053 87 P 4.3462 0.0000 0.0000 66.6279 31.1580 179.5811 88 E 3.8339 7.7316 107.7917 56.6966 29.8386 181.3423 *90 V 4.0540 7.8874 121.7215 63.7398 33.5291 177.3674 91 L 4.1022 7.8279 120.8945 57.8219 41.7759 178.9044 92 S 4.1218 8.2474 113.3989 61.2497 62.3395 176.0662 93 Q 3.9820 7.9790 120.2680 59.0994 28.5468 178.7490 94 I 3.7012 8.2221 121.2074 64.1186 37.0105 178.5191 95 K 3.8990 7.8756 118.8562 59.6067 31.9833 178.9160 96 Q 3.9130 7.9877 119.5902 59.3586 28.8779 178.6128 97 S 3.9409 8.2493 114.0215 61.3224 62.3783 175.4809 98 N 4.3673 8.1921 119.3976 56.6061 38.3667 177.5463 99 G 3.5835 8.2699 106.8279 47.8984 0.0000 175.4606 100 N 4.3567 8.1629 118.9814 56.4512 38.5595 177.3312 101 H 4.4029 8.5684 118.0388 58.6500 28.2802 178.1892 102 R 3.9169 8.3164 120.2528 59.4568 29.8565 179.2294 103 R 3.9532 8.1006 117.8251 59.2334 29.7518 179.0688 104 S 4.0895 7.8468 112.3642 61.2481 62.6757 175.7804 105 L 4.2252 7.7216 119.3980 57.0716 40.2916 178.2799 106 L 4.3047 7.4853 122.3789 57.4983 43.2282 178.7341 107 E 4.4896 7.5484 119.2787 56.0549 26.7855 178.3249 108 R 4.3874 7.5031 123.2882 56.5145 31.2828 175.4329 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 F 8.18 4.82 0.00 3.27 3.18 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 4 K 8.02 3.92 0.00 1.88 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.59 1.53 7.81 5 K 8.19 3.95 0.00 1.78 1.80 0.00 1.73 0.00 0.00 1.93 0.00 0.00 2.87 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.44 7.81 6 V 7.81 3.65 2.20 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 1.05 0.00 0.00 0.96 0.00 0.00 7 A 8.14 4.08 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 K 8.28 4.01 0.00 1.84 1.88 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 9 E 8.09 4.10 0.00 1.97 1.99 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 2.33 2.35 0.00 10 T 8.03 3.90 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 1.20 0.00 0.00 11 A 8.16 4.00 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 12 I 7.77 3.68 2.01 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 1.54 0.90 0.93 0.00 0.00 13 T 7.98 3.90 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 1.19 0.00 0.00 14 L 8.15 4.05 0.00 1.96 1.77 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.12 3.99 0.00 2.28 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 16 S 8.20 4.68 0.00 4.06 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 17 Y 8.38 4.12 0.00 3.22 3.13 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 18 L 8.67 4.10 0.00 1.73 1.71 0.96 0.77 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 19 T 7.74 3.85 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 1.19 0.00 0.00 20 Y 7.84 3.90 0.00 2.95 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 21 Q 7.89 3.38 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 22 A 7.92 3.91 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 23 V 7.87 3.52 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 1.15 0.00 0.00 1.05 0.00 0.00 24 R 7.70 3.69 0.00 1.39 1.70 0.00 2.72 0.00 0.00 2.82 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 25 L 7.51 3.86 0.00 1.68 1.80 0.90 1.53 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 26 I 7.87 3.72 1.94 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 1.40 0.48 0.92 0.00 0.00 27 S 8.24 4.11 0.00 4.01 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 28 Q 8.06 3.89 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.46 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 29 Q 8.08 3.95 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.59 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 30 L 8.12 4.01 0.00 1.87 1.74 0.96 0.68 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 31 S 8.03 4.26 0.00 4.05 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 32 E 7.47 4.20 0.00 1.97 1.89 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 2.24 2.21 0.00 33 T 7.40 4.42 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 1.20 0.00 0.00 34 N 8.21 5.01 0.00 2.69 2.68 0.00 0.00 6.85 7.59 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 35 P 0.00 4.37 0.00 2.28 2.33 0.00 3.72 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 2.08 2.05 0.00 36 G 8.20 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 37 Q 8.11 4.08 0.00 2.28 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 38 A 7.93 4.07 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 39 I 7.71 3.69 2.07 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 1.45 0.75 0.98 0.00 0.00 40 W 8.31 4.17 0.00 3.47 3.46 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 41 L 8.47 4.09 0.00 2.20 1.90 1.08 1.00 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 42 G 7.97 3.60 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 0.00 0.00 0.00 43 E 7.94 3.98 0.00 1.77 1.93 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 2.56 2.46 0.00 44 F 7.66 3.90 0.00 1.84 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 45 S 7.88 4.55 0.00 4.20 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 46 K 7.41 4.20 0.00 1.85 1.79 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.45 7.81 47 R 7.45 4.19 0.00 1.25 1.69 0.00 2.97 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 48 H 7.05 4.67 0.00 2.58 3.04 0.00 5.70 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.45 0.00 2.31 2.19 0.00 3.74 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 2.10 1.95 0.00 50 I 8.35 3.28 1.35 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.15 0.84 0.00 0.00 51 Q 8.13 4.09 0.00 2.05 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.13 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 52 E 7.70 4.43 0.00 2.07 1.93 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 2.29 2.43 0.00 53 S 8.12 4.12 0.00 3.99 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 54 D 8.12 4.47 0.00 2.73 2.76 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 0.00 0.00 0.00 55 L 7.97 4.05 0.00 1.90 1.78 0.95 0.87 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 56 Y 8.01 4.13 0.00 3.09 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 57 L 8.14 4.27 0.00 1.78 1.79 1.01 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.35 4.26 0.00 2.27 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 2.37 2.36 0.00 59 A 7.57 4.26 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 *62 L 7.79 4.31 0.00 1.89 1.82 0.94 0.96 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 63 E 7.88 4.58 0.00 2.08 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 0.00 2.34 2.41 0.00 64 N 7.40 4.45 0.00 1.94 2.27 0.00 0.00 7.25 6.04 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 65 K 8.29 3.99 0.00 1.78 1.80 0.00 1.68 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.44 7.81 66 E 7.96 3.97 0.00 2.14 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 2.26 2.30 0.00 67 L 7.73 3.93 0.00 1.83 1.67 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 V 7.59 3.59 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 0.99 0.00 0.00 0.97 0.00 0.00 69 L 7.98 4.03 0.00 1.86 1.69 0.90 0.58 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 70 R 7.85 3.91 0.00 1.94 2.07 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 71 I 7.54 3.71 2.09 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.13 0.98 0.00 0.00 72 L 7.97 4.04 0.00 1.85 1.73 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.55 3.88 4.39 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 1.21 0.00 0.00 74 V 8.04 3.68 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 1.03 0.00 0.00 0.94 0.00 0.00 75 R 7.92 4.04 0.00 2.12 2.16 0.00 2.84 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.64 0.00 76 E 8.01 3.92 0.00 2.15 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 0.00 2.30 2.35 0.00 77 N 8.06 4.33 0.00 2.96 2.84 0.00 0.00 6.98 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 78 L 7.89 3.99 0.00 1.89 1.72 0.87 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 79 A 8.19 4.06 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 80 E 8.25 3.96 0.00 2.09 1.99 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 2.30 2.29 0.00 81 G 8.14 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 82 V 7.29 4.28 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.01 0.00 0.00 83 L 8.26 3.96 0.00 1.87 1.68 0.94 1.20 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 84 E 7.78 3.90 0.00 1.29 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 2.20 2.24 0.00 85 F 7.59 4.82 0.00 3.03 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 86 L 7.85 4.04 0.00 1.86 1.75 0.99 0.94 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 P 0.00 4.35 0.00 2.17 2.09 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 88 E 7.73 3.83 0.00 1.96 1.93 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 2.25 2.14 0.00 *90 V 7.89 4.05 2.15 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 0.88 0.00 0.00 0.98 0.00 0.00 91 L 7.83 4.10 0.00 1.85 1.68 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.25 4.12 0.00 3.93 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 Q 7.98 3.98 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 94 I 8.22 3.70 1.95 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 1.52 1.02 0.91 0.00 0.00 95 K 7.88 3.90 0.00 2.00 1.85 0.00 1.67 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.63 7.81 96 Q 7.99 3.91 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 97 S 8.25 3.94 0.00 3.87 3.87 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 98 N 8.19 4.37 0.00 3.16 2.87 0.00 0.00 6.96 6.87 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 99 G 8.27 3.58 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 0.00 0.00 0.00 100 N 8.16 4.36 0.00 2.82 2.83 0.00 0.00 7.06 7.70 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 0.00 101 H 8.57 4.40 0.00 3.13 3.32 0.00 5.62 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 0.00 102 R 8.32 3.92 0.00 2.07 1.98 0.00 3.31 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 103 R 8.10 3.95 0.00 2.09 1.99 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 104 S 7.85 4.09 0.00 4.15 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 0.00 105 L 7.72 4.23 0.00 1.84 1.77 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.49 4.30 0.00 1.85 1.76 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 107 E 7.55 4.49 0.00 2.02 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 2.21 2.21 0.00 108 R 7.50 4.39 0.00 1.74 1.78 0.00 3.37 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.73 0.00 * Residues marked with a * may have inaccurate shift predictions.