NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.9010 8.0544 120.3960 62.5742 33.3554 175.4356 8 D 4.5216 7.6626 123.8646 49.9161 40.4604 174.0332 9 P 4.2522 0.0000 0.0000 65.2238 32.1784 176.9787 10 R 4.3280 8.0585 115.3825 55.9294 30.5368 176.0074 11 A 4.4670 7.8091 121.7976 50.4996 19.8508 177.5127 12 K 4.1574 8.3422 120.8032 55.7400 32.9110 176.7399 13 W 4.3603 8.8108 134.5149 57.9578 31.0217 176.0294 14 Q 4.2902 7.7490 123.8753 52.7256 29.1442 172.8105 15 P 3.7537 0.0000 0.0000 62.0497 32.2393 176.1703 16 Q 4.7003 8.3831 117.5950 54.7061 31.9960 174.2708 17 D 5.5498 8.4622 115.5248 54.0238 41.2313 174.9033 18 N 4.9984 9.1651 113.8035 52.2464 39.3413 174.4977 19 D 4.3997 8.0902 119.2554 53.0286 41.8823 175.1416 20 I 2.7924 7.9295 120.3094 62.5203 37.6818 176.9347 21 Q 4.3921 8.6906 119.7030 55.4589 28.8713 174.6479 22 A 4.7981 7.7868 122.2393 50.2275 20.7700 177.9647 23 C 4.4946 9.0840 120.6790 59.8519 36.9118 174.5161 24 D 4.8656 8.1318 117.4141 53.0143 39.4501 175.5743 25 Y 4.8338 8.5613 122.3298 57.8349 39.2233 177.3212 26 W 4.7448 7.5900 121.9604 59.1669 28.4434 177.4404 27 R 3.7238 5.9148 115.7223 57.1415 29.9652 176.2413 28 H 5.0739 8.0863 115.7718 55.7264 29.0508 174.0018 29 C 3.0160 8.1195 116.0397 56.9404 42.0088 174.8729 30 S 4.9906 7.6484 115.2374 57.1607 61.9646 173.5265 31 I 3.6274 7.6828 118.9127 59.3526 40.0677 173.7583 32 D 4.8855 8.6209 127.1476 52.0365 44.5019 172.3484 33 G 4.1878 7.9610 113.5493 44.5263 0.0000 176.0820 34 N 5.4068 10.0874 122.3886 50.9356 42.3086 173.4281 35 I 4.1924 8.2783 123.0849 60.8224 37.4950 176.4935 36 C 4.1960 8.7685 124.7047 59.8688 35.2294 176.0814 37 D 4.2749 8.1080 118.7012 57.2453 40.9221 177.7732 38 C 4.8473 8.0798 114.6420 57.2365 40.0545 174.0385 39 S 4.6039 8.2620 113.6885 58.6885 63.1615 174.7262 40 G 4.1260 8.7016 111.1096 46.6242 0.0000 175.9299 41 G 4.0041 7.6582 113.3792 45.2805 0.0000 171.4101 42 S 4.9558 8.4077 116.8958 56.5466 66.5634 173.7286 43 L 4.0230 8.6509 121.2080 57.8615 41.5517 178.0819 44 T 4.5224 7.7838 104.3309 61.1328 69.9087 173.1271 45 N 5.0777 8.0875 119.7122 51.6406 42.0380 173.1032 46 C 4.8254 8.3277 117.1917 55.5668 37.7357 172.2099 47 P 4.6428 0.0000 0.0000 61.2244 31.8300 174.4968 48 P 4.3190 0.0000 0.0000 64.2939 31.7008 177.3326 49 G 4.0536 8.9382 108.0499 46.4337 0.0000 173.6895 50 T 4.2297 6.9430 109.1130 60.2594 71.1919 174.1740 51 K 4.6678 8.9459 121.3188 54.4058 35.2886 175.5438 52 L 4.6257 8.5765 126.5823 54.0300 42.7243 176.0976 53 A 4.7395 8.6670 129.1021 52.3980 18.7209 177.0301 54 T 4.3114 8.6522 108.1142 61.2073 70.5245 174.2058 55 A 4.8572 7.8602 123.7638 49.8706 23.2805 178.5679 56 S 3.6742 7.4988 119.1721 58.9988 63.7330 180.9092 *58 V 4.5055 8.8570 113.0273 61.5523 33.0017 173.1616 59 A 4.6427 7.7417 117.6322 51.5845 22.1273 175.6000 60 S 4.8346 9.1085 117.8087 58.2770 63.5496 173.9070 61 C 5.2598 9.4524 124.8921 55.1899 40.3268 172.7937 62 Y 4.8037 9.0309 124.8707 56.9633 40.2127 173.5523 63 N 3.4382 8.0181 126.3081 50.5648 39.3308 173.4475 64 P 4.1551 0.0000 0.0000 65.8346 31.5829 178.0932 65 T 3.9167 7.8173 115.7253 65.7149 68.3237 174.8478 66 D 4.6801 7.4569 116.8158 52.1036 39.8519 177.3563 67 G 4.2645 7.8153 106.7936 46.5137 0.0000 174.1454 68 Q 4.2584 7.9328 119.5368 55.4399 30.5827 174.8892 69 S 5.0721 7.7435 114.1769 57.4917 67.2159 173.2906 70 Y 5.1142 9.0331 120.2779 56.1588 42.6368 173.9751 71 L 4.9550 8.8044 123.7721 54.2492 44.0504 175.2347 72 I 4.6716 8.2969 126.3643 59.4347 39.9481 174.6708 73 A 4.1214 8.0065 128.8445 50.2268 19.1770 177.0689 74 Y 4.8993 7.7072 121.6719 57.9451 35.6495 175.7379 75 R 4.3572 7.8582 120.9394 55.9978 32.4063 176.4571 76 D 5.2986 8.6531 122.5511 53.7259 43.6456 174.6084 77 C 5.3390 8.9010 118.3309 55.6452 40.9239 172.7493 78 C 5.9313 8.9469 120.6327 54.3424 44.1243 175.0594 79 G 3.8826 8.9877 107.1420 45.5953 0.0000 172.9548 80 Y 4.9109 7.5580 116.0235 55.6038 41.6945 174.2380 81 N 4.5567 8.4717 119.5357 52.7439 39.7568 174.9456 82 V 3.9603 8.6843 122.0236 61.2879 31.6576 176.2664 83 S 4.0936 8.4347 118.7880 60.0918 62.6667 176.0092 84 G 3.9573 7.7209 106.8641 45.2019 0.0000 173.0670 85 R 4.5276 7.8075 118.1315 55.5972 33.1100 175.4028 86 C 4.3672 8.6825 117.0381 57.4864 37.6614 171.3282 87 P 5.0748 0.0000 0.0000 63.1190 32.5642 176.7693 88 C 4.9827 9.1815 117.2674 56.3016 45.6894 172.8898 89 L 4.7930 8.0097 119.7385 54.7508 44.4814 173.6093 90 N 5.2370 9.1043 123.6728 51.0794 43.4070 174.4388 91 T 5.0392 7.8116 110.3345 61.1394 69.0751 174.0956 92 E 3.9577 8.2481 122.2890 58.4244 29.4806 177.5703 93 G 3.7668 8.8280 111.5493 45.7455 0.0000 172.2426 94 E 4.2614 7.9556 121.2720 56.3588 29.5284 176.5583 95 L 4.6921 8.7422 126.8116 52.5186 44.7690 174.3136 96 P 4.4852 0.0000 0.0000 61.9161 32.2152 178.0552 97 V 3.5732 8.6152 121.1273 65.0410 31.0161 176.8034 98 Y 4.4469 7.8868 115.7694 57.9229 38.8363 175.3874 99 R 4.7885 7.6995 120.1444 55.0076 30.9925 174.9722 100 P 4.4010 0.0000 0.0000 66.2545 31.6961 178.4602 101 E 3.6050 8.2274 117.0695 58.3442 29.4792 177.8602 102 F 4.8337 8.4213 115.0893 56.7698 40.0847 173.7585 103 A 5.2465 9.1252 124.9365 50.3740 19.4986 177.5139 104 N 5.0450 9.1843 120.6900 52.9953 37.5387 175.4055 105 D 4.8468 7.8950 116.1016 54.1645 41.6727 176.7185 106 I 3.6987 7.0792 120.1492 60.3745 37.8855 176.0471 107 I 3.9057 7.5172 124.8089 60.1744 36.6627 176.9146 108 W 4.8648 8.5565 131.1110 55.9672 27.7088 176.9333 109 C 4.8109 7.1159 114.2111 56.2812 38.4934 174.3918 110 F 4.6261 7.4941 120.3999 59.3452 38.7808 176.1968 111 G 4.0176 9.2304 113.4163 45.0651 0.0000 173.3772 112 A 4.8902 7.6874 122.5372 50.9412 19.2381 177.2400 113 E 4.0206 8.7811 120.4061 57.9805 30.0686 176.8499 114 D 4.5510 9.6409 118.2624 55.1878 38.6699 173.6989 115 D 4.4407 8.0081 114.6888 54.9827 38.7507 173.9838 116 A 4.0457 7.7196 122.1098 53.2096 18.4486 178.3357 117 M 4.6150 8.6053 120.7306 54.8507 33.9188 175.3531 118 T 4.4813 7.5656 110.6620 60.3958 70.9480 173.4873 119 Y 4.3658 8.6781 126.9191 58.3952 39.6699 174.3916 120 H 4.6022 7.9453 125.7069 56.9587 32.5096 170.9822 121 C 4.8500 6.3061 109.7684 55.2659 40.7479 172.1700 122 T 5.3786 9.1893 116.3412 61.7894 71.3673 173.8320 123 I 4.6446 8.6271 118.4005 58.9131 40.4328 175.5991 124 S 4.8660 8.5245 117.9597 57.1253 63.2597 172.7729 125 P 4.4359 0.0000 0.0000 62.4192 32.6167 175.6807 126 I 4.5318 7.8859 120.2840 60.5370 38.1764 176.5807 127 V 3.9113 9.7602 118.0019 61.6798 32.4508 176.6894 128 G 3.9864 7.5997 105.9101 43.5852 0.0000 171.4756 129 K 4.3379 8.2185 121.6415 55.8412 32.3386 176.9055 130 A 3.9775 8.6207 131.0044 54.5098 18.9664 177.3514 131 S 4.1301 6.8333 113.7511 57.2018 63.0747 173.3709 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 V 8.05 3.90 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 0.96 0.00 0.00 0.94 0.00 0.00 8 D 7.66 4.52 0.00 2.88 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 9 P 0.00 4.25 0.00 2.23 2.21 0.00 3.82 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 2.01 2.01 0.00 10 R 8.06 4.33 0.00 1.98 2.01 0.00 3.21 0.00 0.00 3.24 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 11 A 7.81 4.47 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 12 K 8.34 4.16 0.00 1.77 1.78 0.00 1.82 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.50 7.81 13 W 8.81 4.36 0.00 3.38 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 14 Q 7.75 4.29 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 15 P 0.00 3.75 0.00 2.03 0.49 0.00 3.53 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.13 0.00 16 Q 8.38 4.70 0.00 2.45 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.01 0.00 0.00 0.00 0.00 0.00 2.33 2.49 0.00 17 D 8.46 5.55 0.00 2.73 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 18 N 9.17 5.00 0.00 2.86 2.91 0.00 0.00 6.51 7.58 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 19 D 8.09 4.40 0.00 2.67 2.59 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 0.00 0.00 0.00 0.00 20 I 7.93 2.79 1.31 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.53 0.16 0.00 0.00 21 Q 8.69 4.39 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.31 2.23 0.00 22 A 7.79 4.80 1.43 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 0.00 0.00 0.00 23 C 9.08 4.49 0.00 3.06 3.31 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 24 D 8.13 4.87 0.00 2.54 2.87 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 25 Y 8.56 4.83 0.00 3.28 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 26 W 7.59 4.74 0.00 3.86 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 27 R 5.91 3.72 0.00 1.45 1.63 0.00 3.02 0.00 0.00 2.74 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 28 H 8.09 5.07 0.00 3.66 3.39 0.00 5.64 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.12 3.02 0.00 1.23 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 30 S 7.65 4.99 0.00 3.91 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 31 I 7.68 3.63 1.68 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.08 0.89 0.00 0.00 32 D 8.62 4.89 0.00 2.82 2.35 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 33 G 7.96 4.19 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 0.00 34 N 10.09 5.41 0.00 2.73 2.83 0.00 0.00 7.39 7.99 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 35 I 8.28 4.19 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.67 0.94 0.00 0.00 36 C 8.77 4.20 0.00 2.99 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 37 D 8.11 4.27 0.00 2.71 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 38 C 8.08 4.85 0.00 3.09 3.09 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 39 S 8.26 4.60 0.00 4.00 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 40 G 8.70 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 0.00 0.00 0.00 41 G 7.66 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 42 S 8.41 4.96 0.00 3.87 3.80 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 43 L 8.65 4.02 0.00 1.63 1.65 0.87 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 44 T 7.78 4.52 4.21 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 1.17 0.00 0.00 45 N 8.09 5.08 0.00 2.70 2.67 0.00 0.00 6.93 7.18 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 46 C 8.33 4.83 0.00 2.89 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 47 P 0.00 4.64 0.00 2.03 2.03 0.00 3.49 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 48 P 0.00 4.32 0.00 2.02 1.99 0.00 3.70 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 2.02 2.08 0.00 49 G 8.94 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 0.00 0.00 0.00 50 T 6.94 4.23 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 0.14 0.00 0.00 51 K 8.95 4.67 0.00 1.59 1.78 0.00 1.64 0.00 0.00 1.51 0.00 0.00 2.77 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.46 1.62 7.81 52 L 8.58 4.63 0.00 1.76 1.54 0.91 1.06 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 53 A 8.67 4.74 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 54 T 8.65 4.31 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 1.27 0.00 0.00 55 A 7.86 4.86 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 56 S 7.50 3.67 0.00 3.94 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 *58 V 8.86 4.51 2.02 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 0.35 0.00 0.00 0.64 0.00 0.00 59 A 7.74 4.64 1.47 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 0.00 0.00 0.00 60 S 9.11 4.83 0.00 3.98 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 61 C 9.45 5.26 0.00 3.21 3.47 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 0.00 62 Y 9.03 4.80 0.00 3.17 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 63 N 8.02 3.44 0.00 1.44 2.11 0.00 0.00 6.66 7.57 0.00 0.00 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 P 0.00 4.16 0.00 2.15 2.21 0.00 3.20 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 2.10 0.00 65 T 7.82 3.92 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 1.16 0.00 0.00 66 D 7.46 4.68 0.00 2.66 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 67 G 7.82 4.26 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 0.00 0.00 0.00 68 Q 7.93 4.26 0.00 2.09 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 69 S 7.74 5.07 0.00 3.68 3.74 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 70 Y 9.03 5.11 0.00 3.10 3.09 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 71 L 8.80 4.96 0.00 1.84 1.55 1.06 1.02 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 72 I 8.30 4.67 1.06 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.82 0.43 0.00 0.00 73 A 8.01 4.12 1.10 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 0.00 0.00 74 Y 7.71 4.90 0.00 2.95 2.94 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 75 R 7.86 4.36 0.00 1.79 1.98 0.00 3.06 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 76 D 8.65 5.30 0.00 2.88 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 77 C 8.90 5.34 0.00 2.72 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 78 C 8.95 5.93 0.00 2.75 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 79 G 8.99 3.88 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 0.00 0.00 0.00 80 Y 7.56 4.91 0.00 2.64 2.72 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 81 N 8.47 4.56 0.00 2.65 2.71 0.00 0.00 6.96 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 82 V 8.68 3.96 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 0.88 0.00 0.00 1.11 0.00 0.00 83 S 8.43 4.09 0.00 3.94 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 84 G 7.72 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 85 R 7.81 4.53 0.00 1.79 1.83 0.00 3.32 0.00 0.00 3.49 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 86 C 8.68 4.37 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 87 P 0.00 5.07 0.00 2.19 2.16 0.00 3.77 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 88 C 9.18 4.98 0.00 2.79 2.99 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 89 L 8.01 4.79 0.00 1.55 1.49 0.93 0.85 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 90 N 9.10 5.24 0.00 2.65 2.43 0.00 0.00 6.05 6.63 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 91 T 7.81 5.04 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 92 E 8.25 3.96 0.00 1.80 1.80 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 1.83 1.68 0.00 93 G 8.83 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 0.00 0.00 0.00 94 E 7.96 4.26 0.00 2.00 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 2.50 2.57 0.00 95 L 8.74 4.69 0.00 1.72 1.48 0.92 0.69 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 96 P 0.00 4.49 0.00 1.71 1.99 0.00 3.31 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 97 V 8.62 3.57 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 0.85 0.00 0.00 0.95 0.00 0.00 98 Y 7.89 4.45 0.00 3.15 3.09 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 99 R 7.70 4.79 0.00 1.80 1.92 0.00 3.38 0.00 0.00 3.27 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.44 0.00 100 P 0.00 4.40 0.00 2.53 2.55 0.00 3.91 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.15 0.00 101 E 8.23 3.61 0.00 1.16 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 2.19 2.34 0.00 102 F 8.42 4.83 0.00 3.09 3.01 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 0.00 103 A 9.13 5.25 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 0.00 104 N 9.18 5.04 0.00 2.82 2.94 0.00 0.00 7.00 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 0.00 105 D 7.90 4.85 0.00 2.61 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 0.00 106 I 7.08 3.70 0.78 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.27 -0.23 0.00 0.00 107 I 7.52 3.91 1.65 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.69 0.87 0.00 0.00 108 W 8.56 4.86 0.00 3.63 3.24 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 0.00 109 C 7.12 4.81 0.00 2.72 3.23 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 0.00 110 F 7.49 4.63 0.00 3.29 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 0.00 111 G 9.23 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 0.00 112 A 7.69 4.89 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 0.00 113 E 8.78 4.02 0.00 2.08 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 2.40 2.42 0.00 114 D 9.64 4.55 0.00 2.78 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 0.00 115 D 8.01 4.44 0.00 2.80 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 0.00 116 A 7.72 4.05 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 0.00 117 M 8.61 4.62 0.00 1.91 2.03 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 118 T 7.57 4.48 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 1.23 0.00 0.00 119 Y 8.68 4.37 0.00 3.09 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 0.00 120 H 7.95 4.60 0.00 3.18 3.15 0.00 5.87 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 C 6.31 4.85 0.00 3.13 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 0.00 122 T 9.19 5.38 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 1.43 0.00 0.00 123 I 8.63 4.64 1.98 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 1.44 0.92 0.90 0.00 0.00 124 S 8.52 4.87 0.00 3.85 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 0.00 125 P 0.00 4.44 0.00 2.15 2.12 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.93 0.00 126 I 7.89 4.53 1.81 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.43 1.02 0.00 0.00 127 V 9.76 3.91 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 0.57 0.00 0.00 0.97 0.00 0.00 128 G 7.60 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 0.00 0.00 0.00 129 K 8.22 4.34 0.00 1.73 1.69 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.23 1.07 7.81 130 A 8.62 3.98 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 0.00 131 S 6.83 4.13 0.00 3.79 3.80 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 * Residues marked with a * may have inaccurate shift predictions.