NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3680 8.1593 110.9392 61.4733 70.1519 172.3839 6 L 4.5906 8.0705 120.7679 51.6858 43.2000 175.0545 7 D 4.8035 9.1235 122.2370 51.9089 44.0985 178.4090 8 K 3.9208 8.5019 117.6220 60.1311 31.7968 179.4647 9 T 4.0312 7.8264 115.4695 66.4420 68.4233 176.5778 10 D 4.4109 8.3097 120.7355 57.3129 40.7788 178.8001 11 I 3.8303 7.8316 120.4722 63.8388 37.0915 178.3369 12 K 3.9918 7.9118 120.4429 59.2064 31.9175 178.8330 13 I 3.7056 7.6996 120.1694 64.4883 37.0419 178.3807 14 L 3.9668 7.6857 119.2740 57.8623 41.0508 179.3374 15 Q 3.9903 7.9954 118.0282 59.1332 28.7036 179.5522 16 V 3.4838 7.8101 118.6949 66.2171 31.3460 178.1787 17 L 4.3203 8.2818 118.8684 57.7696 41.1674 179.3832 18 Q 4.0130 8.1180 117.6901 58.7616 28.6329 178.5820 19 E 4.4412 7.5855 118.2925 57.6573 30.0832 176.7780 20 N 4.8318 8.0074 123.1587 51.3134 39.1504 174.8736 21 G 3.8238 8.6139 115.0397 48.0360 0.0000 172.5518 22 R 4.1250 7.9586 117.3697 55.8559 30.5787 175.8509 23 L 3.8945 7.2719 118.4473 56.7114 42.5391 177.4055 24 T 4.1875 8.2813 115.6954 61.2802 71.0085 175.2863 25 N 4.0531 8.7259 120.6967 56.9227 38.9055 177.3652 26 V 3.5456 7.6936 119.0087 66.0966 31.7562 177.6984 27 E 3.9477 7.9629 117.7555 59.2057 29.3224 179.1397 28 L 3.9217 8.7103 121.2065 58.2591 42.1648 178.9697 29 S 4.1349 8.4266 114.6413 61.5761 62.5237 176.2022 30 E 3.8843 8.0448 122.5320 59.2363 29.2502 179.1073 31 R 3.9934 7.7646 116.7588 59.0404 30.2482 178.6440 32 V 3.8401 7.8387 109.0191 60.3903 33.0813 175.7161 33 A 3.7269 7.5037 121.0514 52.5440 15.8441 175.7258 34 L 4.6851 8.1785 120.1708 52.7489 47.0084 176.7812 35 S 4.5044 8.3068 115.7310 57.4304 63.9447 173.9547 36 P 4.2506 0.0000 0.0000 66.2478 31.3655 179.3351 37 S 4.1608 8.1540 112.4387 61.0748 63.0947 174.5682 38 P 4.4132 0.0000 0.0000 65.9881 31.3253 178.1924 39 C 4.1948 7.9913 113.9434 60.7620 29.1862 175.2759 40 L 4.1471 7.7432 122.0560 56.7896 41.6256 178.7805 41 R 3.9252 7.8641 119.0849 59.7017 30.0955 178.2458 42 R 3.8889 7.9407 117.3917 59.3934 30.1629 178.6207 43 L 4.0704 7.8445 119.6941 58.1045 41.9565 179.2294 44 K 4.0342 7.8697 118.1780 59.2810 31.9732 179.0784 45 Q 4.0073 8.6498 118.7231 59.2044 28.7551 179.2352 46 L 3.9948 8.4758 119.8125 58.0005 41.3026 179.5631 47 E 4.1004 8.3551 118.4060 59.4952 29.2379 178.8272 48 D 4.5166 8.4413 116.9884 55.7797 41.1733 177.5137 49 A 4.4052 8.1882 120.4300 51.8886 19.2795 177.9625 50 G 3.9763 7.8794 105.6939 45.3159 0.0000 175.1724 51 I 3.6850 7.8228 119.7483 64.2778 37.0917 176.2489 52 V 3.8931 7.1421 119.5061 61.7587 31.4021 175.5388 53 R 4.2610 8.3948 124.2793 57.8961 30.4471 176.3828 54 Q 4.5208 7.4292 116.1070 54.8293 31.8665 172.3981 55 Y 4.5789 8.5637 120.8224 56.1542 39.6636 175.1922 56 A 4.7084 8.4873 126.5686 50.0592 22.2048 174.7374 57 A 4.4443 8.4745 123.7869 50.8297 19.7063 177.0130 58 L 4.3816 8.4204 123.7664 53.7866 42.7092 176.5603 59 L 4.4985 8.1636 123.2324 53.0869 44.0480 175.9707 60 S 4.5172 8.1461 115.0795 56.2782 62.9676 172.6602 61 P 4.1423 0.0000 0.0000 65.7518 31.6444 178.2835 62 E 4.0156 8.6283 115.8231 59.5075 29.2666 179.3718 63 S 4.0950 7.9474 113.1229 60.7107 62.9948 175.2968 64 V 4.0526 7.6765 111.5701 60.9252 31.3108 176.4509 65 N 4.4948 8.3244 116.4287 53.6540 36.8708 174.4345 66 L 4.8164 7.5226 119.7997 54.0151 39.3044 176.9675 67 G 3.9612 8.3006 105.1442 46.4169 0.0000 170.7007 68 L 4.8599 8.5982 123.6987 53.3359 44.8834 174.6399 69 Q 4.8273 8.8355 127.8055 54.1046 31.4755 173.9233 70 A 5.2183 8.7461 127.4645 50.1053 23.0587 174.6592 71 F 4.9723 8.9896 118.9151 55.8399 41.7960 174.5293 72 I 4.8700 8.9444 125.6905 59.6296 39.7679 175.2110 73 R 4.9629 9.0114 127.0971 55.1943 31.0811 175.5659 74 V 4.9575 8.7550 124.6448 60.9868 35.0244 174.5051 75 S 5.0551 8.4244 118.7101 56.7969 66.1070 173.3689 76 I 4.5059 8.3752 123.9245 59.9921 38.5203 175.7104 77 R 4.2035 8.4107 123.8066 55.5953 30.7279 177.6593 78 K 4.2885 8.0859 120.1358 56.0936 30.7964 176.0471 79 A 4.8672 7.2567 120.6942 50.1125 23.0007 177.0343 80 K 4.1270 8.7360 118.7452 59.7474 32.3039 178.4456 81 D 5.0070 8.3041 115.7116 53.7577 41.1112 177.9309 82 A 4.3169 7.8801 123.9775 54.4242 19.2418 180.4176 83 R 3.9185 7.8658 116.0968 59.7180 29.8810 179.0468 84 E 4.0313 8.1134 117.7462 59.3000 29.5717 178.9804 85 D 4.3814 7.6536 119.0060 57.3494 40.9574 178.5238 86 F 3.8286 8.0139 120.3967 61.0833 39.3275 176.7883 87 A 3.5726 7.7360 119.5035 55.2254 18.0146 179.3639 88 A 3.8046 8.2252 118.3349 55.3890 18.7587 179.8216 89 S 3.7626 8.0586 113.8931 61.5525 62.8049 177.2858 90 V 2.6784 6.9489 115.0917 63.9316 30.8449 178.8647 91 R 3.8065 7.4186 117.0721 58.3380 29.9340 178.1646 92 K 4.4909 7.1369 115.3999 55.3317 32.7610 176.5854 93 W 4.8971 7.2605 121.5954 54.7580 28.8414 175.4094 94 P 4.3688 0.0000 0.0000 65.1111 31.5520 177.5881 95 E 3.6293 8.2426 117.1879 58.6562 29.3134 176.4695 96 V 4.0698 7.2361 119.2741 61.7461 31.0548 175.1250 97 L 4.4405 8.4546 128.9416 56.7855 42.4242 177.7661 98 S 4.6540 7.7991 111.3500 56.7686 66.8499 172.6499 99 C 5.2375 7.5633 119.9343 58.2982 34.5983 172.9584 100 F 5.0241 9.4598 122.9947 55.8787 43.6336 173.7601 101 A 4.7901 8.6403 124.0662 50.1506 18.9645 176.9429 102 L 4.5641 8.2515 121.5713 54.5140 43.6808 177.0959 103 T 4.1610 8.2368 111.4794 61.6917 70.6065 174.9594 104 G 3.8162 8.3633 107.8687 45.0409 0.0000 172.6523 105 E 4.0749 9.0220 118.0926 59.6698 29.6392 177.5010 106 T 4.5595 7.5702 113.1415 62.5003 70.2938 174.5079 107 D 4.6212 8.5996 123.7869 56.2968 42.6378 175.9529 108 Y 5.2246 8.4580 114.5764 56.0224 42.7901 174.4763 109 L 5.4320 9.7284 123.6618 53.5020 45.5494 175.0291 110 L 5.2439 9.3489 126.2855 52.9681 45.1897 175.2056 111 Q 4.3551 8.7959 123.4175 54.1690 31.7612 174.0275 112 A 5.1728 8.6147 127.1612 50.2729 23.4871 174.0054 113 F 5.1799 8.2714 116.3264 56.0765 42.7027 174.9221 114 F 4.8427 9.9054 120.7440 56.6095 43.6791 175.9591 115 T 4.5641 9.2870 115.9782 65.5712 70.2867 175.0597 116 D 4.8166 7.5604 117.5821 53.5466 39.2631 176.2676 *118 N 4.5730 9.3043 115.4268 53.4408 40.6141 175.0685 119 A 4.0893 9.4437 120.9480 55.3012 18.3199 179.2977 120 F 2.8619 8.1373 118.9282 61.0850 39.3450 177.2246 121 S 4.0743 8.0285 112.1420 61.8497 62.3109 175.5993 122 H 4.1012 8.0865 118.4339 58.7345 28.3000 177.6501 123 F 4.0067 7.7646 122.7258 61.1363 39.2096 177.6983 124 V 2.9531 7.3782 119.1292 64.6372 31.0012 178.2979 125 L 3.9103 7.8726 118.9615 56.2045 41.6585 177.4625 126 D 4.7265 7.8356 116.0618 54.3697 42.3307 176.1187 127 T 4.1671 7.1185 112.0404 64.9595 70.8367 175.1245 128 L 3.8374 6.9502 123.0987 58.0333 42.3614 179.3506 129 L 4.0416 7.8570 118.9993 57.2680 41.7084 178.4608 130 S 4.3563 7.7757 110.7435 58.8381 63.8213 173.6014 131 H 4.3842 8.1292 123.7829 56.0981 29.9662 175.4266 132 H 4.1651 9.0313 123.1500 58.8342 28.4404 176.6716 133 G 3.6897 7.7797 106.8816 48.5491 0.0000 174.1182 134 V 3.7620 7.9295 121.4969 62.9165 31.3082 175.8005 135 Q 4.3274 8.8269 129.9157 58.1045 30.4191 175.1985 136 D 4.6705 7.4281 112.5968 53.2278 45.1174 174.4080 137 A 5.2867 8.5072 125.3364 50.6348 22.9035 176.1461 138 Q 4.4324 8.7410 120.4191 55.6694 31.3773 172.5556 139 S 5.2455 8.6212 121.2243 56.4362 65.0120 173.7252 140 S 4.6789 8.8632 118.4135 56.4779 66.1478 172.7514 141 F 5.3693 8.3606 117.9738 55.5373 42.6908 175.0302 142 V 3.9648 8.5139 122.5696 61.3407 31.3579 176.1087 143 L 4.2706 8.7194 126.0553 56.4464 42.2975 177.4841 144 K 4.2981 7.5945 118.5056 55.2596 34.6549 174.8594 145 E 4.3328 8.7014 128.1743 55.1793 28.5558 175.6963 146 I 3.9437 8.2143 127.2913 63.6070 37.6361 176.9986 147 K 4.5046 7.6025 118.2949 55.5076 34.8769 174.9262 148 H 4.5622 8.4432 124.8823 56.0130 30.7156 172.2818 149 T 4.7516 8.3060 120.8233 60.5180 70.3252 173.5131 150 T 4.3647 8.4352 115.0079 61.6661 69.3998 174.6905 151 S 4.4166 8.0665 120.0432 57.8084 63.0023 174.2667 152 L 4.2512 8.4050 126.5514 53.5840 42.0804 175.3122 153 P 4.5053 0.0000 0.0000 62.8239 32.1566 176.1158 154 L 4.7274 8.3113 119.0702 54.2212 43.6356 178.0098 155 N 4.4241 8.1831 117.4625 56.2191 38.6931 176.7943 156 H 4.3217 8.1755 112.6391 57.9826 28.7210 176.2800 157 L 4.1269 7.3525 118.8287 55.9913 41.9077 176.8297 158 L 4.1762 7.5526 123.6276 54.9098 41.5510 176.5544 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 T 8.16 4.37 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 L 8.07 4.59 0.00 1.84 1.71 0.90 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.12 4.80 0.00 2.96 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 8 K 8.50 3.92 0.00 1.81 1.91 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.54 7.81 9 T 7.83 4.03 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 10 D 8.31 4.41 0.00 3.04 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 11 I 7.83 3.83 2.00 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 1.38 0.67 0.89 0.00 0.00 12 K 7.91 3.99 0.00 2.01 1.96 0.00 1.54 0.00 0.00 1.65 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.53 7.81 13 I 7.70 3.71 2.06 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 0.72 0.94 0.00 0.00 14 L 7.69 3.97 0.00 1.64 1.71 0.91 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.00 3.99 0.00 2.32 2.17 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 2.52 0.00 16 V 7.81 3.48 2.24 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 1.05 0.00 0.00 1.02 0.00 0.00 17 L 8.28 4.32 0.00 1.76 1.83 1.05 1.21 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 18 Q 8.12 4.01 0.00 2.26 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.93 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 19 E 7.59 4.44 0.00 2.03 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 0.00 2.52 2.46 0.00 20 N 8.01 4.83 0.00 2.71 2.70 0.00 0.00 7.20 8.33 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 21 G 8.61 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 22 R 7.96 4.13 0.00 1.78 1.93 0.00 3.26 0.00 0.00 3.13 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 0.00 23 L 7.27 3.89 0.00 1.89 1.61 0.90 0.99 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 24 T 8.28 4.19 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 1.25 0.00 0.00 25 N 8.73 4.05 0.00 2.84 2.86 0.00 0.00 6.65 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 26 V 7.69 3.55 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 1.01 0.00 0.00 0.93 0.00 0.00 27 E 7.96 3.95 0.00 2.22 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 2.33 2.31 0.00 28 L 8.71 3.92 0.00 1.82 1.81 0.94 0.70 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 29 S 8.43 4.13 0.00 4.24 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 0.00 30 E 8.04 3.88 0.00 2.24 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 2.31 2.35 0.00 31 R 7.76 3.99 0.00 1.85 1.98 0.00 3.22 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 32 V 7.84 3.84 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 0.78 0.00 0.00 1.01 0.00 0.00 33 A 7.50 3.73 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 34 L 8.18 4.69 0.00 1.59 1.54 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.31 4.50 0.00 3.89 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 36 P 0.00 4.25 0.00 2.17 2.10 0.00 3.60 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 2.11 2.12 0.00 37 S 8.15 4.16 0.00 3.84 3.92 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 0.00 0.00 0.00 0.00 38 P 0.00 4.41 0.00 2.26 2.30 0.00 3.63 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 2.23 2.02 0.00 39 C 7.99 4.19 0.00 3.18 3.38 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 40 L 7.74 4.15 0.00 2.06 1.84 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.86 3.93 0.00 1.95 2.05 0.00 3.16 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 1.77 1.67 0.00 42 R 7.94 3.89 0.00 2.09 2.07 0.00 3.19 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.70 0.00 43 L 7.84 4.07 0.00 1.83 1.70 1.03 0.70 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 44 K 7.87 4.03 0.00 2.06 1.85 0.00 1.89 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.54 7.81 45 Q 8.65 4.01 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 46 L 8.48 3.99 0.00 1.82 1.72 0.93 0.93 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 47 E 8.36 4.10 0.00 2.20 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 0.00 2.45 2.63 0.00 48 D 8.44 4.52 0.00 2.79 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 49 A 8.19 4.41 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 50 G 7.88 3.98 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 0.00 0.00 0.00 51 I 7.82 3.68 2.00 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 1.29 0.57 0.89 0.00 0.00 52 V 7.14 3.89 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 0.30 0.00 0.00 0.86 0.00 0.00 53 R 8.39 4.26 0.00 1.93 2.01 0.00 3.10 0.00 0.00 3.14 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 54 Q 7.43 4.52 0.00 1.96 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.40 0.00 55 Y 8.56 4.58 0.00 2.99 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 56 A 8.49 4.71 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.47 4.44 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 58 L 8.42 4.38 0.00 1.61 1.58 0.92 1.02 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 59 L 8.16 4.50 0.00 1.52 1.51 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 60 S 8.15 4.52 0.00 3.83 3.73 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 61 P 0.00 4.14 0.00 2.34 2.23 0.00 3.70 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.82 0.00 62 E 8.63 4.02 0.00 2.17 2.28 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 2.40 2.35 0.00 63 S 7.95 4.09 0.00 4.02 4.04 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 0.00 0.00 0.00 64 V 7.68 4.05 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 0.70 0.00 0.00 0.95 0.00 0.00 65 N 8.32 4.49 0.00 2.96 3.01 0.00 0.00 7.04 6.23 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 66 L 7.52 4.82 0.00 1.63 1.84 0.77 0.66 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 67 G 8.30 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 0.00 0.00 0.00 68 L 8.60 4.86 0.00 1.89 1.81 1.23 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.84 4.83 0.00 1.76 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.59 0.00 0.00 0.00 0.00 0.00 2.13 1.28 0.00 70 A 8.75 5.22 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 71 F 8.99 4.97 0.00 2.85 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 72 I 8.94 4.87 2.08 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.96 1.08 0.00 0.00 73 R 9.01 4.96 0.00 1.80 1.95 0.00 3.27 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.79 0.00 74 V 8.75 4.96 2.19 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 0.55 0.00 0.00 1.11 0.00 0.00 75 S 8.42 5.06 0.00 4.01 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 76 I 8.38 4.51 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 0.00 0.88 0.53 0.94 0.00 0.00 77 R 8.41 4.20 0.00 1.68 1.88 0.00 3.16 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 78 K 8.09 4.29 0.00 1.75 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 79 A 7.26 4.87 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 80 K 8.74 4.13 0.00 1.78 1.89 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.47 7.81 81 D 8.30 5.01 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 82 A 7.88 4.32 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 83 R 7.87 3.92 0.00 1.92 2.09 0.00 3.18 0.00 0.00 3.42 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.94 0.00 84 E 8.11 4.03 0.00 2.02 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 2.41 2.42 0.00 85 D 7.65 4.38 0.00 2.89 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 86 F 8.01 3.83 0.00 2.89 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 87 A 7.74 3.57 1.35 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 88 A 8.23 3.80 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 89 S 8.06 3.76 0.00 3.20 3.33 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 90 V 6.95 2.68 1.67 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 -0.19 0.00 0.00 0.41 0.00 0.00 91 R 7.42 3.81 0.00 1.75 1.86 0.00 3.04 0.00 0.00 3.13 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 92 K 7.14 4.49 0.00 1.75 1.86 0.00 1.66 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.54 7.81 93 W 7.26 4.90 0.00 3.37 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 94 P 0.00 4.37 0.00 2.15 2.19 0.00 3.89 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 95 E 8.24 3.63 0.00 1.34 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 2.04 1.47 0.00 96 V 7.24 4.07 2.40 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 0.81 0.00 0.00 1.18 0.00 0.00 97 L 8.45 4.44 0.00 1.82 1.76 1.02 0.82 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 98 S 7.80 4.65 0.00 3.78 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 99 C 7.56 5.24 0.00 2.83 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 0.00 100 F 9.46 5.02 0.00 3.03 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 0.00 101 A 8.64 4.79 0.96 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 0.00 0.00 102 L 8.25 4.56 0.00 1.55 1.61 0.96 0.93 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 0.00 103 T 8.24 4.16 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 1.19 0.00 0.00 104 G 8.36 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 0.00 105 E 9.02 4.07 0.00 1.97 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 2.32 2.35 0.00 106 T 7.57 4.56 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 1.40 0.00 0.00 107 D 8.60 4.62 0.00 2.74 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 0.00 108 Y 8.46 5.22 0.00 3.08 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 0.00 109 L 9.73 5.43 0.00 1.84 1.73 1.24 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 110 L 9.35 5.24 0.00 1.92 1.63 1.30 0.89 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 0.00 111 Q 8.80 4.36 0.00 1.16 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.57 0.00 0.00 0.00 0.00 0.00 1.92 1.31 0.00 112 A 8.61 5.17 1.09 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 0.00 0.00 0.00 0.00 0.00 113 F 8.27 5.18 0.00 2.71 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 0.00 114 F 9.91 4.84 0.00 2.97 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 0.00 115 T 9.29 4.56 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 1.32 0.00 0.00 116 D 7.56 4.82 0.00 2.85 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 0.00 0.00 0.00 *118 N 9.30 4.57 0.00 2.79 3.07 0.00 0.00 6.76 8.75 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 0.00 119 A 9.44 4.09 1.63 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 0.00 0.00 120 F 8.14 2.86 0.00 2.74 2.92 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 0.00 0.00 0.00 0.00 121 S 8.03 4.07 0.00 4.02 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 0.00 122 H 8.09 4.10 0.00 3.25 3.35 0.00 5.67 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 0.00 123 F 7.76 4.01 0.00 3.09 2.90 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 0.00 124 V 7.38 2.95 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 0.46 0.00 0.00 0.84 0.00 0.00 125 L 7.87 3.91 0.00 1.56 1.65 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.84 4.73 0.00 2.68 2.61 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 0.00 0.00 0.00 127 T 7.12 4.17 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 0.27 0.00 0.00 128 L 6.95 3.84 0.00 0.48 1.31 0.94 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.86 4.04 0.00 1.67 1.66 0.88 0.95 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 0.00 130 S 7.78 4.36 0.00 3.96 3.92 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 0.00 0.00 0.00 0.00 131 H 8.13 4.38 0.00 3.62 3.53 0.00 5.60 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 9.03 4.17 0.00 3.26 3.43 0.00 5.77 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 0.00 133 G 7.78 3.69 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 0.00 0.00 0.00 134 V 7.93 3.76 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 0.65 0.00 0.00 0.73 0.00 0.00 135 Q 8.83 4.33 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.38 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 136 D 7.43 4.67 0.00 2.68 2.41 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 0.00 137 A 8.51 5.29 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 0.00 138 Q 8.74 4.43 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.74 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 139 S 8.62 5.25 0.00 3.47 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 0.00 140 S 8.86 4.68 0.00 3.78 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 0.00 141 F 8.36 5.37 0.00 2.85 2.88 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 0.00 142 V 8.51 3.96 2.17 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 0.89 0.00 0.00 1.01 0.00 0.00 143 L 8.72 4.27 0.00 1.65 1.77 1.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.59 4.30 0.00 1.68 1.65 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.44 7.81 145 E 8.70 4.33 0.00 2.05 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 2.35 2.42 0.00 146 I 8.21 3.94 1.87 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 0.91 0.91 0.00 0.00 147 K 7.60 4.50 0.00 1.68 1.63 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.45 7.81 148 H 8.44 4.56 0.00 3.17 3.30 0.00 5.72 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.31 4.75 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 1.25 0.00 0.00 150 T 8.44 4.36 4.27 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 1.27 0.00 0.00 151 S 8.07 4.42 0.00 3.90 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 0.00 152 L 8.41 4.25 0.00 1.77 1.62 0.93 1.13 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 0.00 153 P 0.00 4.51 0.00 2.21 2.07 0.00 3.71 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 154 L 8.31 4.73 0.00 1.67 1.63 0.92 0.73 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 0.00 155 N 8.18 4.42 0.00 2.77 2.88 0.00 0.00 6.85 8.16 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 0.00 156 H 8.18 4.32 0.00 3.27 3.43 0.00 5.52 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.35 4.13 0.00 1.69 1.69 0.86 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.55 4.18 0.00 1.76 1.57 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.