NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4856 8.3344 115.4144 58.0943 65.0982 174.3645 8 C 4.4584 7.6265 120.0919 58.2944 32.2844 169.9576 9 I 4.2406 7.6090 121.3938 59.1437 37.9664 174.5424 10 Q 4.5518 8.3427 123.6329 54.6998 30.0932 175.4527 11 F 4.4685 8.9280 120.3350 56.6580 39.6486 176.4327 12 T 4.1538 8.5173 120.3898 63.4049 67.8412 174.8418 13 R 4.4327 7.9461 120.2090 56.8590 30.4842 176.7787 14 H 4.3836 8.2741 117.5907 59.0426 29.9847 176.7751 15 A 3.8427 7.9886 122.1599 55.4466 18.2656 179.4532 16 S 4.0540 7.9550 110.9097 61.4603 62.5485 175.9359 17 D 4.3826 8.0576 121.8719 57.0419 40.4888 178.7501 18 V 3.5157 7.9274 119.1789 65.8902 31.4419 177.9269 19 L 3.8406 7.8293 120.0787 58.0433 41.8647 178.7108 20 L 4.0990 7.8337 119.8764 58.0530 42.0152 178.6677 21 N 4.3633 8.3525 116.7255 56.1264 38.4369 177.3974 22 L 4.0520 8.1453 120.7521 57.6770 41.6239 178.8978 23 N 4.4649 8.7642 117.5147 56.9540 38.8765 177.1573 24 R 3.8803 8.3833 119.6452 59.0413 30.1162 178.7205 25 L 3.9907 8.0222 118.9026 58.0136 41.7300 179.5874 26 R 3.7655 8.1836 118.1535 59.7164 29.8009 178.7458 27 S 4.1833 8.4534 113.6101 60.7214 62.8413 175.8245 28 R 4.3690 7.7913 118.2033 54.4867 31.3183 175.1187 29 D 4.2677 7.8274 117.4950 55.3493 39.8622 173.6823 30 I 4.2656 8.2446 119.9588 60.6643 38.7623 177.2789 31 L 3.8620 8.8330 123.9373 55.0012 39.4228 174.8799 32 T 4.0905 7.4241 108.7123 62.0490 69.0389 173.6776 33 D 5.0487 8.3457 122.4545 52.6024 41.1638 175.3513 34 V 4.6601 7.6083 117.7627 61.0061 35.1210 172.8569 35 V 4.4017 9.0156 125.1040 61.4285 33.3879 174.4543 36 I 4.5118 8.9354 130.4012 60.6324 38.5216 175.4269 37 V 4.3249 8.5896 129.0099 61.6601 31.8565 174.4689 38 V 4.0919 8.8836 128.7995 61.7909 31.1772 175.7966 39 S 3.6847 8.7787 126.3235 59.8122 62.7485 171.4969 *41 E 4.0359 7.5743 118.3138 56.1085 30.9124 174.5441 42 Q 4.7998 8.0418 120.9764 54.7400 31.1116 175.7985 43 F 4.6896 9.0061 120.3442 56.0248 42.9520 174.2835 44 R 4.6607 8.7726 123.4531 56.3231 30.8097 175.8769 45 A 4.3020 8.2842 123.6311 51.9939 23.7566 173.9808 46 H 4.9720 9.1947 115.7360 54.5311 30.5607 176.3958 47 K 3.2000 9.5018 124.6576 59.9307 31.7131 179.1864 48 T 3.8139 7.7522 107.8731 65.2515 68.6590 175.5606 49 V 3.6334 7.6032 120.2914 65.1749 31.8214 177.6010 50 L 4.0049 7.6164 118.3602 58.4349 41.3160 179.6412 51 M 4.4382 8.2532 116.6854 58.2741 31.9312 178.3423 52 A 4.2040 7.7758 119.6931 54.2168 18.6988 177.8400 53 C 4.5221 8.0616 112.7806 60.0454 29.9414 173.8423 54 S 4.6214 8.2382 114.3233 55.4455 64.9221 174.7957 55 G 3.7178 8.8612 114.8030 47.9209 0.0000 174.6814 56 L 3.7725 7.5301 121.4020 58.2059 41.9831 179.0054 57 F 4.0512 8.3965 117.5916 60.6675 38.6212 177.2079 58 Y 4.0813 8.7105 119.9526 60.6612 38.3785 178.3952 59 S 4.1217 8.0091 114.0114 61.4655 63.2516 176.0492 60 I 3.6366 7.5994 123.6913 63.9991 36.6641 178.0299 61 F 4.7138 7.5678 115.6424 58.7932 39.0319 176.9655 62 T 4.3915 7.0031 108.2294 60.3412 69.2867 173.4159 63 D 4.7063 7.2643 122.6869 53.1575 42.1121 177.4085 64 Q 4.0671 8.6914 125.9620 58.8033 29.0958 177.5010 65 L 4.0992 8.5292 119.8832 57.0063 42.0018 177.5501 66 K 4.5833 8.0354 115.9836 56.4967 32.9127 174.5395 67 C 4.7092 7.6455 116.4555 59.1759 29.9189 174.2707 68 N 5.0441 8.2983 121.0565 51.9229 38.1119 175.4637 69 L 4.1279 7.6486 117.9016 55.3917 42.9188 178.5771 70 S 4.4045 8.7514 117.3577 59.9632 64.7661 173.6293 71 V 4.8081 7.8280 119.8844 61.1006 33.6660 175.0766 72 I 4.4538 8.5106 129.6949 59.6019 38.9107 174.5186 73 N 4.9169 8.6850 125.3761 53.0314 38.8637 175.5095 74 L 4.5086 8.0307 128.4825 54.2738 44.4598 175.9022 *77 E 4.1025 8.6295 120.1840 57.3254 30.6754 175.1158 78 I 4.6827 7.9747 122.6068 58.9423 41.0681 174.9096 79 N 4.6284 8.5244 120.3710 52.2325 38.4041 174.3959 80 P 4.4907 0.0000 0.0000 65.8394 31.6388 178.5566 81 E 4.2186 8.3880 117.8834 59.3755 29.4795 178.9566 82 G 4.0153 8.1532 106.5705 46.9932 0.0000 175.4237 83 F 3.8957 8.0073 123.1179 61.1630 39.3465 176.8168 84 C 3.9041 8.6414 118.7697 62.6120 31.3605 175.7297 85 I 3.7739 7.7873 121.3641 64.3173 36.6750 178.4545 86 L 4.0589 7.6344 120.0107 57.4091 41.2125 179.2917 87 L 3.9569 7.9891 120.9794 57.8969 42.0700 178.5433 88 D 4.4335 8.2925 119.0975 57.4461 40.7558 178.4543 89 F 4.5600 8.2534 122.2573 61.0965 39.1218 176.9481 90 M 3.8330 8.0973 116.9008 58.3794 31.9284 177.6627 91 Y 4.2780 7.7333 113.9761 58.5443 38.6424 176.0500 92 T 4.4477 7.3819 107.9217 59.9073 70.2501 175.4590 93 S 3.2759 7.8905 116.7179 58.8380 61.6360 171.1098 94 R 4.5986 7.5050 120.5635 54.3244 31.4005 174.9661 95 L 4.7802 8.5984 124.3684 53.6686 42.8508 176.1581 96 N 4.6928 8.4640 125.2729 51.9325 37.3637 174.4483 97 L 4.4656 7.5437 121.3196 53.8042 43.5060 176.6384 98 R 4.4530 8.0969 117.0976 55.1222 33.9108 175.9285 99 E 3.9352 9.1429 121.9547 59.8366 29.6191 179.9180 100 G 3.5213 8.0629 105.5470 47.0567 0.0000 174.0643 101 N 4.8848 8.2458 116.7307 52.6337 38.4224 176.3241 102 I 3.5115 7.1853 121.6820 64.5617 38.1385 177.4685 103 M 4.0230 8.0353 118.7635 58.3225 31.8403 178.4628 104 A 4.0139 7.8006 120.4831 54.9637 18.5910 179.7896 105 V 3.4478 8.4680 117.1159 66.2942 31.8393 177.5789 106 M 3.8566 8.1447 118.0535 58.8315 32.0344 178.0640 107 A 3.9612 7.8225 119.8081 55.5474 18.6441 179.4782 108 T 3.8939 7.9837 113.9330 66.8563 68.5226 176.2081 109 A 3.9310 8.5426 122.9097 55.7531 18.3327 179.6716 110 M 3.9711 7.8945 116.1592 58.8212 31.9126 178.5201 111 Y 4.5595 7.8098 117.6282 60.0408 38.7801 177.0982 112 L 3.9817 7.8633 118.3872 53.9898 41.7911 177.2999 113 Q 3.5406 8.0192 116.9538 56.8816 26.7191 172.9970 114 M 4.3356 8.0936 118.5783 54.7529 32.5138 176.2396 115 E 4.4097 8.5072 123.8373 57.4994 31.0492 177.3668 116 H 4.1850 7.9580 116.0923 58.8213 28.8271 177.6429 117 V 3.5637 7.5935 119.5616 65.7714 31.3985 177.3714 118 V 3.4508 7.9281 117.3210 66.3054 31.2315 177.3919 119 D 4.4270 8.3043 117.8750 57.9840 40.8909 179.8461 120 T 3.9106 7.4662 114.4884 66.7197 68.4423 176.4226 121 C 4.0724 8.5330 118.9478 62.9418 28.1899 176.0248 122 R 3.9285 7.9657 119.4100 59.8044 29.5783 179.3224 123 K 4.1670 7.8176 115.9156 59.1234 31.9447 179.0397 124 F 4.0889 8.3405 121.3477 61.0822 39.2360 177.2598 125 I 3.9156 8.4786 120.0739 64.1921 36.7947 177.7507 126 K 4.4213 8.1877 116.1948 57.4081 32.6693 177.6409 127 A 4.2881 7.3140 122.8082 54.1756 19.4432 179.0831 128 S 4.1602 7.7299 110.6019 60.2846 63.9601 173.9972 129 E 4.2359 7.7756 123.8556 56.0021 29.3922 175.5796 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 7 S 8.33 4.49 0.00 4.00 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 8 C 7.63 4.46 0.00 3.00 2.83 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 9 I 7.61 4.24 1.96 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 1.47 0.76 0.79 0.00 0.00 10 Q 8.34 4.55 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 11 F 8.93 4.47 0.00 3.00 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 12 T 8.52 4.15 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 13 R 7.95 4.43 0.00 1.92 1.93 0.00 3.24 0.00 0.00 3.30 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 14 H 8.27 4.38 0.00 3.23 3.50 0.00 5.66 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.99 3.84 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 16 S 7.95 4.05 0.00 3.89 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 17 D 8.06 4.38 0.00 2.76 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 V 7.93 3.52 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 0.97 0.00 0.00 0.72 0.00 0.00 19 L 7.83 3.84 0.00 1.88 1.58 0.70 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.83 4.10 0.00 1.79 1.83 0.93 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.35 4.36 0.00 2.98 2.84 0.00 0.00 6.95 6.29 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 22 L 8.15 4.05 0.00 1.84 1.76 0.78 0.58 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 23 N 8.76 4.46 0.00 3.19 3.06 0.00 0.00 7.23 7.31 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 24 R 8.38 3.88 0.00 1.90 1.97 0.00 3.21 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 25 L 8.02 3.99 0.00 2.00 2.00 0.88 0.61 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 26 R 8.18 3.77 0.00 1.65 1.83 0.00 2.64 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.33 0.00 27 S 8.45 4.18 0.00 4.07 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 28 R 7.79 4.37 0.00 1.77 1.94 0.00 3.32 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 29 D 7.83 4.27 0.00 2.74 2.66 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 0.00 0.00 0.00 0.00 30 I 8.24 4.27 1.89 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 1.30 1.23 0.92 0.00 0.00 31 L 8.83 3.86 0.00 1.82 1.82 0.90 0.94 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 32 T 7.42 4.09 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 1.14 0.00 0.00 33 D 8.35 5.05 0.00 2.56 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 34 V 7.61 4.66 1.90 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 0.75 0.00 0.00 1.05 0.00 0.00 35 V 9.02 4.40 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 0.93 0.00 0.00 0.93 0.00 0.00 36 I 8.94 4.51 1.81 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.81 0.93 0.00 0.00 37 V 8.59 4.32 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 0.90 0.00 0.00 0.93 0.00 0.00 38 V 8.88 4.09 2.26 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 0.95 0.00 0.00 0.29 0.00 0.00 39 S 8.78 3.68 0.00 4.19 3.97 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 *41 E 7.57 4.04 0.00 2.01 1.61 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 1.66 2.10 0.00 42 Q 8.04 4.80 0.00 1.78 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.56 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 43 F 9.01 4.69 0.00 2.84 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 44 R 8.77 4.66 0.00 1.66 1.81 0.00 3.21 0.00 0.00 3.22 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 45 A 8.28 4.30 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 46 H 9.19 4.97 0.00 3.05 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 9.50 3.20 0.00 1.46 1.39 0.00 1.47 0.00 0.00 1.29 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.30 1.00 7.81 48 T 7.75 3.81 4.20 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 1.17 0.00 0.00 49 V 7.60 3.63 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 0.46 0.00 0.00 0.65 0.00 0.00 50 L 7.62 4.00 0.00 1.85 1.48 0.62 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 51 M 8.25 4.44 0.00 2.32 2.29 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.89 0.00 52 A 7.78 4.20 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 53 C 8.06 4.52 0.00 3.02 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 54 S 8.24 4.62 0.00 3.98 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 0.00 55 G 8.86 3.72 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 0.00 0.00 0.00 56 L 7.53 3.77 0.00 1.43 1.18 0.60 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 57 F 8.40 4.05 0.00 3.31 3.37 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 58 Y 8.71 4.08 0.00 3.31 3.20 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 59 S 8.01 4.12 0.00 4.07 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 0.00 60 I 7.60 3.64 1.33 0.00 0.00 0.52 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 0.41 0.33 0.00 0.00 61 F 7.57 4.71 0.00 3.01 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 62 T 7.00 4.39 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 0.41 0.00 0.00 63 D 7.26 4.71 0.00 2.83 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 64 Q 8.69 4.07 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.86 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 65 L 8.53 4.10 0.00 1.57 1.94 0.92 0.90 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 66 K 8.04 4.58 0.00 1.96 1.96 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.57 7.81 67 C 7.65 4.71 0.00 3.14 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 68 N 8.30 5.04 0.00 2.69 2.77 0.00 0.00 7.03 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 69 L 7.65 4.13 0.00 1.74 1.69 0.96 0.76 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 70 S 8.75 4.40 0.00 3.91 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 71 V 7.83 4.81 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 0.87 0.00 0.00 0.95 0.00 0.00 72 I 8.51 4.45 2.13 0.00 0.00 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 1.52 1.09 1.02 0.00 0.00 73 N 8.69 4.92 0.00 2.64 2.79 0.00 0.00 7.18 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 74 L 8.03 4.51 0.00 1.63 1.82 1.30 1.43 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 *77 E 8.63 4.10 0.00 1.94 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 2.20 2.32 0.00 78 I 7.97 4.68 2.01 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.16 1.11 0.00 0.00 79 N 8.52 4.63 0.00 3.00 2.99 0.00 0.00 6.06 7.76 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 80 P 0.00 4.49 0.00 2.33 2.34 0.00 3.68 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 2.17 2.38 0.00 81 E 8.39 4.22 0.00 2.10 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 2.42 2.43 0.00 82 G 8.15 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 83 F 8.01 3.90 0.00 3.26 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 84 C 8.64 3.90 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 85 I 7.79 3.77 1.85 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 1.54 0.71 0.96 0.00 0.00 86 L 7.63 4.06 0.00 1.50 1.56 0.83 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 87 L 7.99 3.96 0.00 1.72 1.77 1.07 1.45 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 88 D 8.29 4.43 0.00 3.03 2.77 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 89 F 8.25 4.56 0.00 3.20 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 90 M 8.10 3.83 0.00 1.99 2.40 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.66 0.00 91 Y 7.73 4.28 0.00 2.81 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.38 4.45 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 1.28 0.00 0.00 93 S 7.89 3.28 0.00 3.94 3.96 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 0.00 0.00 0.00 94 R 7.51 4.60 0.00 1.89 1.90 0.00 3.11 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 95 L 8.60 4.78 0.00 1.45 1.51 0.47 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 96 N 8.46 4.69 0.00 2.75 2.75 0.00 0.00 7.16 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 97 L 7.54 4.47 0.00 1.05 0.84 0.69 0.75 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 98 R 8.10 4.45 0.00 1.76 1.73 0.00 3.17 0.00 0.00 3.33 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.56 0.00 99 E 9.14 3.94 0.00 2.11 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 2.50 2.59 0.00 100 G 8.06 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 4.88 0.00 2.93 3.20 0.00 0.00 6.42 7.81 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 0.00 102 I 7.19 3.51 1.83 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 1.51 1.47 0.96 0.00 0.00 103 M 8.04 4.02 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.56 0.00 104 A 7.80 4.01 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 0.00 105 V 8.47 3.45 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 0.88 0.00 0.00 0.96 0.00 0.00 106 M 8.14 3.86 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.58 0.00 107 A 7.82 3.96 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 0.00 108 T 7.98 3.89 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 1.29 0.00 0.00 109 A 8.54 3.93 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 0.00 110 M 7.89 3.97 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 111 Y 7.81 4.56 0.00 2.90 3.17 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 0.00 112 L 7.86 3.98 0.00 1.83 1.61 0.77 0.69 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 0.00 113 Q 8.02 3.54 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.19 0.00 114 M 8.09 4.34 0.00 1.99 1.98 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 2.62 2.69 0.00 115 E 8.51 4.41 0.00 1.98 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 2.22 2.47 0.00 116 H 7.96 4.18 0.00 3.28 3.34 0.00 5.86 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 V 7.59 3.56 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 0.69 0.00 0.00 0.06 0.00 0.00 118 V 7.93 3.45 2.22 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 0.99 0.00 0.00 0.99 0.00 0.00 119 D 8.30 4.43 0.00 2.99 2.73 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 0.00 120 T 7.47 3.91 4.37 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 1.22 0.00 0.00 121 C 8.53 4.07 0.00 3.00 2.96 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 0.00 0.00 0.00 122 R 7.97 3.93 0.00 2.05 2.03 0.00 3.12 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 1.67 1.71 0.00 123 K 7.82 4.17 0.00 1.80 1.88 0.00 1.71 0.00 0.00 1.63 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.68 7.81 124 F 8.34 4.09 0.00 3.30 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 0.00 125 I 8.48 3.92 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.36 0.95 0.00 0.00 126 K 8.19 4.42 0.00 1.86 1.91 0.00 1.59 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.44 7.81 127 A 7.31 4.29 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 0.00 128 S 7.73 4.16 0.00 3.94 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 0.00 129 E 7.78 4.24 0.00 2.08 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 2.25 2.22 0.00 * Residues marked with a * may have inaccurate shift predictions.