NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.8383 8.3544 109.7350 45.2354 0.0000 173.7109 0 D 4.3090 7.7473 120.1472 53.5840 42.4171 172.5210 2 T 3.8475 9.3140 119.2644 63.6905 68.6570 171.0094 3 L 4.9157 8.1845 125.7357 54.5906 42.7185 176.0067 4 E 4.7876 9.1588 120.0588 54.5410 33.6198 174.4073 5 K 4.8239 8.5263 119.9024 55.9567 33.7341 175.7784 6 H 5.0123 9.6696 123.7771 54.4480 32.5656 172.0438 7 A 5.3301 8.6430 127.0058 50.4303 22.5872 174.4564 8 F 5.4776 8.4521 113.9909 55.7839 42.0532 172.9528 9 K 5.7947 9.1433 118.4454 54.1316 36.2551 174.6815 *11 Q 4.4264 8.4122 120.7642 56.0141 29.7067 173.8835 12 L 4.4858 8.4857 128.9223 53.8191 43.3345 176.0254 13 N 4.6535 8.6510 122.9694 52.2017 39.4181 173.5072 14 P 4.2392 0.0000 0.0000 64.3755 32.4498 176.4946 15 G 3.5104 8.4143 108.5178 46.1233 0.0000 172.8695 *17 E 4.3067 7.9044 121.1522 56.1431 32.0690 177.3808 18 A 4.0188 7.9265 119.9065 55.0073 18.3607 179.0960 19 E 3.8547 8.1198 117.3750 59.5418 29.8932 178.0119 20 Y 4.0371 8.0948 119.1187 60.8022 38.7151 177.9788 21 R 3.9135 8.4049 119.5990 59.3841 30.3238 178.2730 22 K 3.9215 8.2524 119.4337 59.7563 31.9623 178.9692 23 R 3.9940 8.1529 117.5445 59.5831 30.3543 178.5093 24 H 4.2620 8.2332 116.0342 58.6396 28.4262 177.4020 25 D 4.4681 8.3109 120.5692 56.7088 40.6248 177.6185 26 E 4.6485 7.5564 116.6346 55.0032 31.0365 176.0136 27 I 3.3751 6.8829 118.8833 60.7130 38.6935 175.6675 28 W 4.5404 7.7201 127.2183 55.9173 29.6654 175.5682 29 P 4.3031 0.0000 0.0000 65.8672 30.5713 178.5275 30 E 3.9682 8.2142 117.0449 59.0390 29.4619 178.7537 31 L 3.8461 7.9111 121.5454 57.6181 42.0133 178.8254 32 V 3.3558 7.5404 117.7639 66.0525 31.3526 177.3828 33 D 4.3289 8.0527 118.4410 57.3809 40.7283 178.6064 34 L 3.8408 7.7448 120.5232 58.0943 42.0485 178.9498 35 L 3.8860 7.9561 118.9275 58.1498 41.5942 179.0718 36 H 4.5787 8.0911 117.4838 58.6273 28.4751 177.8493 37 Q 4.0564 8.1654 118.7533 58.8805 28.7580 178.6912 38 S 4.7373 7.5057 115.8059 58.4290 63.3011 175.3064 39 G 3.9975 7.8397 109.7865 45.2031 0.0000 173.2821 40 A 4.6592 8.2383 124.5744 51.4299 19.5079 176.9873 41 S 4.5980 8.6885 115.7992 57.2540 66.7123 172.9233 42 D 4.3099 8.5340 117.5494 55.4178 39.1607 172.4548 43 Y 5.2587 7.8350 119.0940 56.5095 40.2836 175.3402 44 S 4.7481 9.3758 121.0558 56.5659 66.9591 172.9783 45 I 4.8693 7.9075 120.6949 59.9543 40.7059 174.4831 46 H 4.9769 9.0889 122.2401 53.9211 33.0544 171.9256 47 L 4.9466 8.5440 123.5096 53.4172 44.3057 175.3382 48 D 4.6214 9.0732 126.8856 53.0277 41.0628 177.0903 49 R 3.9987 8.6458 126.3760 59.0918 30.5481 178.4772 50 E 4.0974 8.4894 116.9206 58.8292 29.4834 177.6353 51 T 4.3401 7.7187 104.9838 60.4836 70.1647 173.8915 52 N 4.1719 8.3396 118.6602 54.3979 37.1762 173.5437 53 T 4.4405 7.6164 115.1189 63.5941 69.8852 173.4035 54 L 5.0338 8.4959 125.2351 53.0128 44.5865 174.9452 55 F 5.0921 9.6056 126.6284 56.6297 41.3241 174.2466 56 G 3.9250 8.7082 114.4466 44.2479 0.0000 172.2735 57 V 4.9324 8.3164 122.0325 59.9346 35.1928 173.6784 58 L 5.2391 8.9643 122.7876 54.8969 44.6504 174.2447 59 T 5.1672 8.7759 116.6368 62.0860 70.9526 174.0880 60 R 5.7198 8.8971 120.5225 54.3885 33.5840 172.6400 61 P 4.7713 0.0000 0.0000 62.7670 32.1719 177.0519 62 K 4.0042 8.6827 122.0043 58.9311 32.6908 177.2197 63 D 4.7275 7.9300 118.2423 53.4175 39.9218 176.3420 64 H 4.3235 7.8090 115.1522 56.7186 29.3114 174.7132 65 T 4.1972 8.6841 110.4386 59.9375 68.9133 174.6587 *67 A 4.3142 8.3930 129.6697 51.9405 20.6446 177.7582 68 S 4.4969 7.8867 110.5062 59.4227 63.0401 176.1469 69 L 3.9481 7.8667 122.4817 57.4358 41.1964 177.2437 70 P 4.3596 0.0000 0.0000 64.7304 31.3941 177.1314 71 D 4.7316 7.9071 115.8755 53.4768 41.6513 175.6315 72 H 4.5792 7.6786 120.6877 54.2742 31.0076 173.1134 73 P 4.3854 0.0000 0.0000 65.9284 31.4794 179.3736 74 V 3.9485 8.0488 114.2402 63.5792 31.0604 177.3920 *76 K 4.3889 8.1350 119.7157 55.9684 34.1698 178.3166 77 K 4.1470 8.6048 118.6316 59.2800 31.7100 179.1132 78 W 3.8711 8.4228 127.6104 60.2879 30.6651 177.7329 79 W 4.5800 8.2456 117.0312 59.7835 28.6397 177.8189 80 A 4.2786 8.2556 119.9780 55.3025 17.8470 179.5499 81 H 4.1646 8.0119 111.9915 57.1852 29.6951 175.9137 *83 A 4.3377 7.9722 123.6948 51.5295 20.2048 178.5327 84 D 4.5275 8.0966 114.0788 55.1062 40.0849 176.9131 85 I 4.2071 7.5010 113.4042 60.3383 38.2475 174.4825 *87 A 4.3191 7.9277 123.6863 53.0966 19.1939 176.6983 88 T 4.9424 8.0818 112.0378 59.7099 72.0890 173.6357 89 N 4.6256 8.9111 120.8368 52.0428 39.4162 174.5130 90 P 4.3005 0.0000 0.0000 65.9318 31.3382 177.2796 91 D 4.5972 7.9426 114.2671 53.3535 39.5281 176.8168 92 N 4.5428 8.5089 117.4352 53.3094 37.6250 174.9445 93 S 2.7900 8.1458 114.1704 56.6281 63.5647 172.2661 94 P 4.4882 0.0000 0.0000 62.2299 31.7080 176.3713 95 V 3.7358 8.1171 122.6394 63.1906 31.6752 175.1622 96 Q 5.5932 8.7773 128.2576 54.1345 32.3683 173.6866 97 S 4.9059 8.6171 118.6868 56.4514 66.5832 172.9791 98 D 5.0981 8.8722 121.6688 54.6205 41.4802 175.6500 99 L 4.7711 8.7052 121.6205 53.2728 44.4380 176.0340 100 V 4.2670 8.0885 120.1716 61.2741 32.8143 175.5187 101 T 4.1701 8.5988 124.5943 63.6997 68.5746 174.2268 102 L 4.6720 8.3397 125.3588 54.6629 43.4226 176.2337 103 F 4.9110 7.8014 117.8283 57.7950 41.9641 172.0351 104 H 4.1386 7.8095 124.9273 54.4542 32.7996 171.2998 *106 P 4.0868 0.0000 0.0000 62.8015 31.5527 176.6371 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 G 8.35 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 0.00 0.00 0.00 0 D 7.75 4.31 0.00 2.77 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.31 3.85 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 3 L 8.18 4.92 0.00 1.51 1.57 0.91 0.83 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 4 E 9.16 4.79 0.00 1.97 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 2.38 2.27 0.00 5 K 8.53 4.82 0.00 1.65 1.78 0.00 1.67 0.00 0.00 1.57 0.00 0.00 2.43 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.22 1.26 7.81 6 H 9.67 5.01 0.00 3.14 3.15 0.00 5.72 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 7 A 8.64 5.33 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 8 F 8.45 5.48 0.00 3.26 3.06 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 9 K 9.14 5.79 0.00 1.94 2.00 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.24 7.81 *11 Q 8.41 4.43 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.85 0.00 0.00 0.00 0.00 0.00 2.22 2.40 0.00 12 L 8.49 4.49 0.00 1.40 1.49 0.70 1.11 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 13 N 8.65 4.65 0.00 2.71 2.72 0.00 0.00 7.00 7.60 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 14 P 0.00 4.24 0.00 2.02 1.98 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 15 G 8.41 3.51 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 0.00 *17 E 7.90 4.31 0.00 2.02 2.00 0.00 0.00 0.00 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 2.32 0.00 18 A 7.93 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 19 E 8.12 3.85 0.00 2.11 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 2.37 2.42 0.00 20 Y 8.09 4.04 0.00 3.07 3.06 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 21 R 8.40 3.91 0.00 1.99 2.10 0.00 3.18 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 22 K 8.25 3.92 0.00 1.98 1.98 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 23 R 8.15 3.99 0.00 1.62 1.74 0.00 2.98 0.00 0.00 2.76 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 24 H 8.23 4.26 0.00 3.16 3.28 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 D 8.31 4.47 0.00 2.83 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 26 E 7.56 4.65 0.00 2.06 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 2.32 2.46 0.00 27 I 6.88 3.38 1.71 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 -0.36 0.79 0.00 0.00 28 W 7.72 4.54 0.00 3.37 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 29 P 0.00 4.30 0.00 2.26 2.32 0.00 3.81 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 2.09 2.05 0.00 30 E 8.21 3.97 0.00 2.19 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 0.00 2.47 2.28 0.00 31 L 7.91 3.85 0.00 1.66 1.48 0.65 -0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.54 3.36 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 0.93 0.00 0.00 0.80 0.00 0.00 33 D 8.05 4.33 0.00 2.88 2.69 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 34 L 7.74 3.84 0.00 1.70 1.69 0.71 0.45 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 35 L 7.96 3.89 0.00 1.75 1.65 0.90 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.09 4.58 0.00 3.30 3.33 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 37 Q 8.17 4.06 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.98 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 38 S 7.51 4.74 0.00 4.04 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 39 G 7.84 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 40 A 8.24 4.66 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 41 S 8.69 4.60 0.00 3.98 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 42 D 8.53 4.31 0.00 2.90 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 43 Y 7.84 5.26 0.00 2.85 2.80 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 44 S 9.38 4.75 0.00 3.69 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 45 I 7.91 4.87 1.79 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 1.30 0.34 0.94 0.00 0.00 46 H 9.09 4.98 0.00 3.19 3.21 0.00 5.58 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.54 4.95 0.00 1.52 1.50 0.85 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 48 D 9.07 4.62 0.00 2.80 2.64 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 49 R 8.65 4.00 0.00 1.83 1.97 0.00 3.27 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 50 E 8.49 4.10 0.00 2.03 2.00 0.00 0.00 0.00 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 51 T 7.72 4.34 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 1.23 0.00 0.00 52 N 8.34 4.17 0.00 2.93 3.02 0.00 0.00 6.91 6.48 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 53 T 7.62 4.44 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 1.22 0.00 0.00 54 L 8.50 5.03 0.00 1.57 1.52 0.54 0.44 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 55 F 9.61 5.09 0.00 2.87 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 56 G 8.71 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 57 V 8.32 4.93 1.55 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 0.43 0.00 0.00 0.92 0.00 0.00 58 L 8.96 5.24 0.00 1.73 1.50 0.85 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.78 5.17 4.33 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 1.23 0.00 0.00 60 R 8.90 5.72 0.00 1.82 1.89 0.00 2.59 0.00 0.00 3.12 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.35 0.00 61 P 0.00 4.77 0.00 2.33 2.22 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 62 K 8.68 4.00 0.00 1.84 1.94 0.00 1.88 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.71 1.67 7.81 63 D 7.93 4.73 0.00 2.77 2.81 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 64 H 7.81 4.32 0.00 3.44 3.51 0.00 5.70 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 T 8.68 4.20 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 1.19 0.00 0.00 *67 A 8.39 4.31 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 68 S 7.89 4.50 0.00 4.00 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 69 L 7.87 3.95 0.00 1.66 1.58 0.85 0.98 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 70 P 0.00 4.36 0.00 2.16 2.47 0.00 3.82 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.53 0.00 71 D 7.91 4.73 0.00 2.82 2.71 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 0.00 0.00 0.00 0.00 72 H 7.68 4.58 0.00 3.05 3.20 0.00 5.97 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.39 0.00 2.20 2.09 0.00 3.14 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 74 V 8.05 3.95 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 1.20 0.00 0.00 1.02 0.00 0.00 *76 K 8.14 4.39 0.00 2.10 2.00 0.00 1.80 0.00 0.00 1.92 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.58 1.67 7.81 77 K 8.60 4.15 0.00 2.30 2.25 0.00 1.71 0.00 0.00 1.54 0.00 0.00 2.96 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.67 7.81 78 W 8.42 3.87 0.00 3.10 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 79 W 8.25 4.58 0.00 3.66 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 80 A 8.26 4.28 1.48 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 81 H 8.01 4.16 0.00 3.21 3.20 0.00 5.98 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *83 A 7.97 4.34 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 84 D 8.10 4.53 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 85 I 7.50 4.21 1.90 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.96 0.89 0.00 0.00 *87 A 7.93 4.32 1.29 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 0.00 0.00 88 T 8.08 4.94 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 1.17 0.00 0.00 89 N 8.91 4.63 0.00 2.83 2.72 0.00 0.00 7.16 8.20 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 90 P 0.00 4.30 0.00 2.03 2.14 0.00 3.64 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 91 D 7.94 4.60 0.00 2.83 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 92 N 8.51 4.54 0.00 3.03 3.35 0.00 0.00 6.92 7.43 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 93 S 8.15 2.79 0.00 3.00 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 94 P 0.00 4.49 0.00 2.03 2.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.03 0.00 95 V 8.12 3.74 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 0.68 0.00 0.00 0.95 0.00 0.00 96 Q 8.78 5.59 0.00 2.16 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.50 0.00 0.00 0.00 0.00 0.00 2.33 2.54 0.00 97 S 8.62 4.91 0.00 3.93 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 98 D 8.87 5.10 0.00 2.66 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 99 L 8.71 4.77 0.00 1.60 1.62 1.02 1.08 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 0.00 100 V 8.09 4.27 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 0.86 0.00 0.00 0.97 0.00 0.00 101 T 8.60 4.17 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 1.26 0.00 0.00 102 L 8.34 4.67 0.00 1.68 1.74 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.80 4.91 0.00 2.75 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 0.00 104 H 7.81 4.14 0.00 2.98 3.02 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *106 P 0.00 4.09 0.00 2.06 1.96 0.00 3.62 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.