NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.2552 8.2531 123.5816 51.2038 20.7292 176.6817 3 G 3.8737 7.8613 104.7955 43.2791 0.0000 171.6692 4 D 4.5714 9.2498 126.2620 54.0231 42.9363 174.3409 5 T 4.2589 8.2822 117.5375 63.6426 69.2588 174.0076 6 T 5.0910 8.4416 121.1079 60.6018 70.2202 172.9389 7 I 4.6907 8.4712 124.7157 60.0293 42.1615 173.3714 8 T 5.1926 8.4716 123.1718 61.7766 71.1895 173.5325 9 V 4.4993 9.2164 126.0100 60.9427 35.1139 174.1479 10 V 4.7338 8.3359 126.1925 60.9054 34.0404 175.2758 11 G 3.9077 7.7544 113.6891 46.0013 0.0000 170.7994 12 N 5.5633 7.6759 115.7988 51.0995 41.8546 174.6871 13 L 4.7792 8.5651 122.9511 55.1214 42.2365 178.4368 14 T 4.1729 8.7998 113.9182 64.1895 69.4482 174.1285 15 A 4.5904 7.8124 122.5498 50.5211 22.1348 175.1129 16 D 4.4552 8.6008 119.0972 54.2932 41.2939 175.5040 17 P 4.5408 0.0000 0.0000 63.2230 32.1881 175.7227 18 E 4.2237 9.1643 124.6620 55.8671 30.4791 175.2480 19 L 4.8435 8.4210 127.3114 53.4561 43.7986 175.4334 20 R 4.7219 8.8112 124.1953 54.3100 35.0271 174.0111 21 F 5.3038 8.4444 117.7670 55.7204 42.2428 175.7256 22 T 4.2186 9.2912 114.5689 60.5683 69.3367 173.4035 23 P 4.2831 0.0000 0.0000 65.8421 31.1000 177.6767 24 S 4.2353 7.5581 111.6722 59.2810 63.1039 175.0353 25 G 4.0083 8.3116 109.9344 44.8530 0.0000 173.8125 26 A 4.3757 7.8794 122.8570 52.0457 19.5010 177.0057 27 A 4.4004 8.8964 124.4778 51.6596 20.3635 176.7061 28 V 4.2815 8.4438 120.0806 59.6394 34.9875 174.1316 29 A 5.1469 8.4808 125.8198 50.1066 22.0379 174.7445 30 N 5.2545 8.7021 118.2732 51.6118 42.9802 173.4825 31 F 5.1474 7.7122 115.0350 56.4744 42.1024 172.5167 32 T 5.1215 8.5074 109.3606 59.9580 71.6138 172.9045 33 V 4.5841 8.8581 125.7938 61.9175 33.3857 174.3647 34 A 4.3457 9.1230 130.9820 50.6659 20.3684 175.7285 35 S 4.8713 8.7606 119.2543 57.5251 64.1059 173.4041 36 T 4.7122 8.3015 119.3941 59.4303 69.1921 172.6402 37 P 4.6313 0.0000 0.0000 62.7803 33.6159 175.2332 38 R 4.9423 8.2728 120.1437 55.9113 33.9223 175.9136 39 M 4.5875 8.7002 126.2211 54.0969 33.7536 174.8876 *40 F 4.1476 8.9660 118.1964 59.7560 38.8246 175.7690 41 D 4.4156 8.1493 117.5857 53.8763 36.1658 175.4854 42 R 4.0520 7.7390 124.2588 57.8269 31.6198 175.8220 43 Q 3.3174 8.7125 112.6782 57.4014 24.3431 168.7454 44 S 3.2827 9.0832 116.7345 59.3906 62.7619 173.0979 45 G 4.1427 8.4536 105.0520 45.9544 0.0000 175.0502 46 E 4.4279 7.8084 126.8508 55.7879 28.1992 178.8690 47 W 4.8331 8.5920 133.2653 58.0839 30.8997 175.6391 48 K 4.5474 8.5609 121.8072 54.3772 35.4896 172.6958 49 D 4.6278 9.0849 126.2594 54.1408 41.3838 177.1880 50 G 4.0246 8.7333 113.4371 45.2463 0.0000 173.8140 51 E 4.1145 8.6759 115.7827 55.9537 29.9830 174.4283 52 A 4.4009 8.5026 125.8482 50.8808 19.6403 176.0902 53 L 4.6418 8.4274 122.5937 53.3208 44.5200 175.1945 54 F 5.1857 8.9943 124.5528 55.8822 41.1690 174.6439 55 L 4.7439 8.6707 124.8521 52.5175 44.2010 176.2344 56 R 4.3863 8.6654 125.2055 56.5167 31.5711 174.7632 57 C 5.2118 9.0861 123.6762 57.8930 31.7905 172.6683 58 N 5.1976 8.9655 119.7287 51.6290 41.8980 173.3877 59 I 4.9177 8.0468 120.7033 59.6460 42.0591 173.4693 60 W 5.1367 8.7931 126.4566 54.5001 33.0860 177.6862 61 R 3.7845 9.2388 121.5614 57.6186 29.2506 178.9775 62 E 4.1526 9.0813 123.9666 60.5634 29.2422 178.0970 63 A 3.9936 8.1904 120.0573 55.2140 18.2791 179.4126 64 A 3.9562 7.8152 119.0548 55.3914 18.4710 179.6562 65 E 3.9143 8.2458 117.1068 59.7454 29.0330 179.4570 66 N 4.3784 8.5209 116.7627 56.1005 38.5634 177.6801 67 V 3.5135 7.9355 119.4966 66.0286 31.4500 178.0331 68 A 3.9736 7.9803 119.3444 55.0422 18.2466 178.8868 69 E 4.0658 8.1537 116.9931 58.3712 29.7792 177.4899 70 S 4.6285 7.5454 112.2963 58.0536 65.2568 173.9939 71 L 4.7692 7.7415 118.8027 53.0680 44.2736 175.2125 72 T 4.5718 8.2227 109.9422 59.6521 72.0579 172.8715 73 R 3.8161 8.9406 121.5882 58.4633 30.0431 176.4146 74 G 3.9991 9.0921 114.1599 45.1941 0.0000 173.8680 75 S 4.1392 7.9316 116.7960 59.1103 63.9947 173.7785 76 R 4.6472 8.6293 125.2796 56.2570 31.3179 175.4428 77 V 5.0080 9.4001 118.7513 59.8214 36.8607 174.0728 78 I 4.9911 8.5410 123.1409 59.6648 40.0089 175.0613 79 V 5.0433 8.8784 126.0907 61.3440 34.9915 174.0920 80 T 5.5765 8.1468 117.6664 59.2780 72.1095 173.8318 81 G 4.0337 7.6176 107.9261 46.8191 0.0000 171.1975 82 R 5.2873 8.1831 118.5933 54.0842 33.0411 175.9145 83 L 4.7021 8.5996 124.1613 54.7094 42.2977 176.7334 84 K 4.6801 9.4348 123.0177 54.5423 36.4752 174.9475 85 Q 4.7710 8.6914 124.7726 54.9729 30.1386 174.5022 86 R 4.6623 8.6824 127.2421 54.9055 32.5591 174.9232 87 S 4.8971 8.7024 123.5110 58.4419 64.2816 173.9919 *88 F 5.0414 8.3123 123.9389 55.5406 42.4737 171.2604 89 E 4.8578 8.4403 115.8107 56.7404 31.9573 175.9346 90 T 4.2012 8.7601 122.0057 61.6247 68.1420 175.1912 91 R 4.1651 8.4796 122.6295 57.5079 29.9117 177.0408 92 E 4.5474 8.1030 116.2588 56.0051 30.1241 175.5364 93 G 4.0843 8.4202 111.5853 46.1795 0.0000 175.4087 94 E 4.2672 8.0510 118.7326 56.8481 31.4699 180.2600 95 K 4.9722 8.4339 124.1094 53.6299 32.9801 176.7484 96 R 4.7047 8.4134 125.8370 53.8231 32.1638 176.4293 97 T 4.8373 8.4931 114.2801 61.0922 70.8866 174.3275 98 V 4.5541 8.3017 121.1086 60.1398 35.2859 174.1008 99 V 4.5523 8.3854 123.0712 62.5442 32.4331 174.7289 100 E 4.9001 9.6476 126.4839 54.5856 34.5354 174.5682 101 V 4.5743 8.4875 121.4162 61.3976 33.3720 174.5059 102 E 4.5674 9.2530 130.8626 55.4456 30.1854 175.6362 103 V 4.1116 8.7664 129.0475 63.4806 32.0428 175.3111 104 D 4.7237 9.4854 128.9105 56.4175 41.8644 176.1595 105 E 4.9961 8.0778 116.2749 54.8242 34.1220 174.1612 106 I 5.0673 8.2925 121.2351 60.1389 41.4095 173.8611 107 G 4.3537 8.7330 113.3947 44.2689 0.0000 170.4103 108 P 4.8920 0.0000 0.0000 62.2050 32.0266 176.2165 109 S 4.1760 8.5832 119.5875 58.2958 62.9140 173.6797 110 L 5.1352 8.2652 124.4765 54.1001 41.7868 177.6354 111 R 3.7529 7.8633 120.5082 59.3696 29.8147 177.1371 112 Y 4.7911 7.7099 110.5514 57.3651 39.0516 175.0430 113 A 4.7217 7.6323 122.2687 50.8488 22.3422 175.8751 114 T 4.7784 8.2300 109.3441 60.0089 71.2913 173.7927 115 A 4.5040 8.1455 125.7714 51.1476 22.0402 176.5661 116 K 4.3483 8.5684 123.9247 53.1249 32.2113 174.7092 117 V 4.1692 8.1677 124.8070 60.5305 32.6259 174.9528 118 N 4.8974 8.4457 123.4522 51.1890 40.6132 174.2325 119 K 4.1578 8.5530 123.2081 55.6014 33.0719 177.2929 120 A 4.1714 8.5248 124.7310 52.5571 18.2910 177.2440 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 2 A 8.25 4.26 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 3 G 7.86 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 0.00 0.00 0.00 4 D 9.25 4.57 0.00 2.66 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 5 T 8.28 4.26 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 6 T 8.44 5.09 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 7 I 8.47 4.69 1.87 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 1.10 0.99 0.00 0.00 8 T 8.47 5.19 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 1.25 0.00 0.00 9 V 9.22 4.50 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 1.00 0.00 0.00 0.94 0.00 0.00 10 V 8.34 4.73 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 0.83 0.00 0.00 0.91 0.00 0.00 11 G 7.75 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 12 N 7.68 5.56 0.00 2.70 2.68 0.00 0.00 7.47 6.07 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 13 L 8.57 4.78 0.00 1.57 1.73 0.54 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 14 T 8.80 4.17 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 1.53 0.00 0.00 15 A 7.81 4.59 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 16 D 8.60 4.46 0.00 2.66 2.63 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 17 P 0.00 4.54 0.00 1.92 2.06 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.89 0.00 18 E 9.16 4.22 0.00 2.01 1.85 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 2.31 2.26 0.00 19 L 8.42 4.84 0.00 1.52 1.47 0.60 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.81 4.72 0.00 1.49 1.69 0.00 3.06 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.44 0.00 21 F 8.44 5.30 0.00 2.88 2.95 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 22 T 9.29 4.22 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 1.55 0.00 0.00 23 P 0.00 4.28 0.00 2.24 2.28 0.00 3.85 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 2.01 0.00 24 S 7.56 4.24 0.00 3.90 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 25 G 8.31 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 26 A 7.88 4.38 1.49 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 0.00 0.00 27 A 8.90 4.40 1.14 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 0.00 0.00 28 V 8.44 4.28 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 0.40 0.00 0.00 0.01 0.00 0.00 29 A 8.48 5.15 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 30 N 8.70 5.25 0.00 2.57 2.50 0.00 0.00 6.40 7.66 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 31 F 7.71 5.15 0.00 3.07 3.10 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 32 T 8.51 5.12 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 1.25 0.00 0.00 33 V 8.86 4.58 2.13 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 0.91 0.00 0.00 1.10 0.00 0.00 34 A 9.12 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.76 4.87 0.00 3.79 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 36 T 8.30 4.71 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 1.12 0.00 0.00 37 P 0.00 4.63 0.00 2.11 2.22 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 38 R 8.27 4.94 0.00 1.52 1.71 0.00 2.97 0.00 0.00 2.90 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.51 0.00 39 M 8.70 4.59 0.00 1.67 1.94 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 *40 F 8.97 4.15 0.00 2.29 2.23 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 41 D 8.15 4.42 0.00 2.83 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 42 R 7.74 4.05 0.00 1.75 1.92 0.00 3.41 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 43 Q 8.71 3.32 0.00 2.26 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 5.78 0.00 0.00 0.00 0.00 0.00 2.18 1.93 0.00 44 S 9.08 3.28 0.00 3.93 3.84 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 45 G 8.45 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 0.00 0.00 0.00 0.00 46 E 7.81 4.43 0.00 1.93 1.13 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 2.20 2.20 0.00 47 W 8.59 4.83 0.00 3.37 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 48 K 8.56 4.55 0.00 1.46 1.63 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.28 1.29 7.81 49 D 9.08 4.63 0.00 2.57 2.65 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 0.00 0.00 0.00 50 G 8.73 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 0.00 0.00 0.00 51 E 8.68 4.11 0.00 2.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.89 0.00 52 A 8.50 4.40 0.97 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 0.00 0.00 53 L 8.43 4.64 0.00 1.74 1.43 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 54 F 8.99 5.19 0.00 2.92 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 55 L 8.67 4.74 0.00 1.59 1.56 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.67 4.39 0.00 1.92 1.76 0.00 3.18 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 57 C 9.09 5.21 0.00 1.71 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 58 N 8.97 5.20 0.00 2.75 2.50 0.00 0.00 6.29 7.38 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 59 I 8.05 4.92 1.94 0.00 0.00 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 1.31 1.35 1.00 0.00 0.00 60 W 8.79 5.14 0.00 3.30 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 61 R 9.24 3.78 0.00 2.12 1.40 0.00 3.18 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.81 0.00 62 E 9.08 4.15 0.00 2.02 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 2.45 2.36 0.00 63 A 8.19 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 64 A 7.82 3.96 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 65 E 8.25 3.91 0.00 2.26 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 2.45 2.54 0.00 66 N 8.52 4.38 0.00 2.89 2.87 0.00 0.00 6.66 8.54 0.00 0.00 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 V 7.94 3.51 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 0.86 0.00 0.00 0.98 0.00 0.00 68 A 7.98 3.97 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 69 E 8.15 4.07 0.00 2.20 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 2.36 0.00 70 S 7.55 4.63 0.00 3.86 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 71 L 7.74 4.77 0.00 1.41 1.37 0.65 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 72 T 8.22 4.57 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 1.18 0.00 0.00 73 R 8.94 3.82 0.00 1.79 1.98 0.00 3.27 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 74 G 9.09 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 0.00 0.00 0.00 75 S 7.93 4.14 0.00 3.79 3.76 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 76 R 8.63 4.65 0.00 1.95 1.83 0.00 3.23 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 77 V 9.40 5.01 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 0.66 0.00 0.00 0.93 0.00 0.00 78 I 8.54 4.99 1.86 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 1.09 0.67 0.90 0.00 0.00 79 V 8.88 5.04 2.13 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 0.90 0.00 0.00 1.04 0.00 0.00 80 T 8.15 5.58 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 81 G 7.62 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 0.00 0.00 0.00 82 R 8.18 5.29 0.00 1.78 1.81 0.00 3.20 0.00 0.00 3.38 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 83 L 8.60 4.70 0.00 1.54 1.62 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 84 K 9.43 4.68 0.00 1.58 1.65 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.51 7.81 85 Q 8.69 4.77 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 86 R 8.68 4.66 0.00 1.95 1.75 0.00 3.15 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 87 S 8.70 4.90 0.00 3.79 3.77 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 *88 F 8.31 5.04 0.00 1.87 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 0.00 0.00 0.00 0.00 89 E 8.44 4.86 0.00 1.90 1.81 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 2.18 2.24 0.00 90 T 8.76 4.20 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 1.30 0.00 0.00 91 R 8.48 4.17 0.00 1.83 1.95 0.00 3.37 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 92 E 8.10 4.55 0.00 1.90 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 2.23 2.25 0.00 93 G 8.42 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 94 E 8.05 4.27 0.00 1.68 1.84 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 2.31 1.88 0.00 95 K 8.43 4.97 0.00 1.52 1.65 0.00 1.65 0.00 0.00 0.61 0.00 0.00 2.84 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.28 0.86 7.81 96 R 8.41 4.70 0.00 1.71 1.86 0.00 3.24 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 97 T 8.49 4.84 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 98 V 8.30 4.55 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 0.71 0.00 0.00 0.93 0.00 0.00 99 V 8.39 4.55 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 0.81 0.00 0.00 0.94 0.00 0.00 100 E 9.65 4.90 0.00 1.85 1.86 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 2.18 2.20 0.00 101 V 8.49 4.57 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 0.92 0.00 0.00 0.93 0.00 0.00 102 E 9.25 4.57 0.00 2.14 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 0.00 2.35 2.40 0.00 103 V 8.77 4.11 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 0.96 0.00 0.00 1.00 0.00 0.00 104 D 9.49 4.72 0.00 2.74 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 0.00 105 E 8.08 5.00 0.00 1.86 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.39 0.00 106 I 8.29 5.07 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.89 0.97 0.00 0.00 107 G 8.73 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 0.00 108 P 0.00 4.89 0.00 2.06 2.03 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 109 S 8.58 4.18 0.00 3.87 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 L 8.27 5.14 0.00 1.62 1.63 0.90 0.98 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 0.00 111 R 7.86 3.75 0.00 1.48 1.67 0.00 2.51 0.00 0.00 2.77 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.50 0.00 112 Y 7.71 4.79 0.00 2.93 2.82 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 0.00 113 A 7.63 4.72 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 0.00 114 T 8.23 4.78 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 0.00 115 A 8.15 4.50 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 0.00 116 K 8.57 4.35 0.00 1.78 1.63 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.30 0.98 7.81 117 V 8.17 4.17 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 0.97 0.00 0.00 0.92 0.00 0.00 118 N 8.45 4.90 0.00 2.70 2.70 0.00 0.00 7.09 7.61 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 0.00 119 K 8.55 4.16 0.00 1.75 1.74 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.43 7.81 120 A 8.52 4.17 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 * Residues marked with a * may have inaccurate shift predictions.