NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 S 4.3105 8.3349 116.7934 58.5204 63.5615 172.3636 14 K 4.0695 8.5623 126.7364 53.3275 30.6296 173.4320 15 P 4.4617 0.0000 0.0000 62.9633 32.4319 177.9804 16 R 3.9899 10.1076 122.7933 58.9236 30.3400 178.0794 17 G 2.2079 8.1693 106.2344 45.9509 0.0000 172.8863 18 I 3.7609 6.5964 121.2129 59.3043 38.4636 175.1303 19 N 3.7541 7.4635 124.0191 52.6702 38.2712 174.6574 20 Y 4.3149 8.3086 121.8802 58.8450 37.5938 176.9511 21 D 4.9653 8.3017 119.8866 54.7675 41.7473 177.1747 22 T 4.4547 7.3981 105.2316 60.3479 71.3924 175.0357 23 G 3.7398 8.5917 109.7422 45.1007 0.0000 172.8856 24 I 4.2028 7.0063 120.6662 59.0283 38.8166 173.8743 25 P 4.5376 0.0000 0.0000 62.5066 32.1370 176.3250 26 F 4.6780 8.9835 121.9996 57.7717 40.5966 174.0675 27 N 5.3405 9.9370 120.1794 52.1736 40.4458 174.2373 28 V 4.7465 8.8489 123.8053 60.8335 34.8546 173.8132 29 L 4.8453 8.7057 129.8109 53.5535 44.1042 174.7719 30 I 4.7004 8.1199 127.4698 59.0153 39.1650 175.0352 31 V 4.7759 8.1936 127.0148 61.5521 33.6433 174.1357 32 D 4.7505 8.6248 126.0827 53.3566 44.8429 175.5997 33 D 5.0987 8.9342 122.7626 53.4693 40.1258 176.1765 34 S 4.7203 8.4504 116.2210 56.7544 64.3333 174.8660 35 V 3.6653 8.4600 122.9296 63.9666 31.3467 178.3302 36 F 4.2140 7.9723 120.4697 61.7651 39.3025 177.3492 37 T 3.5854 7.9449 114.8931 66.3428 68.2221 176.7560 38 V 3.5543 7.9979 120.4777 65.8723 31.5458 178.0583 39 K 3.8901 8.0483 119.3895 59.2846 32.0170 178.6321 40 Q 3.7569 7.6792 119.8170 59.1948 28.9315 178.2239 41 L 3.9810 7.9141 119.9861 58.0132 41.5662 179.6349 42 T 3.9484 8.1449 115.7856 66.7636 68.4209 176.5865 43 Q 3.9880 8.1341 119.7494 59.0405 28.5170 178.8477 44 I 3.5870 7.6959 120.6400 64.5121 37.1460 178.6051 45 F 4.1789 8.2860 118.6943 60.7754 38.7504 178.0258 46 T 4.3553 8.6133 111.2526 64.3673 68.3296 176.6400 47 S 4.1001 8.2517 115.4090 60.3140 63.2743 174.3869 48 E 4.3728 7.9548 121.0243 55.8464 29.4328 176.8727 49 G 3.9288 8.3356 106.2273 45.3803 0.0000 174.0395 50 F 4.5124 8.5208 118.7883 57.2698 40.8262 173.6387 51 N 5.1168 9.0713 119.0801 52.0306 41.3141 173.6876 52 I 4.3950 8.4332 127.3853 60.3827 36.5311 175.3546 53 I 3.7667 8.3761 129.2549 63.9043 38.7947 174.8817 54 D 4.5997 7.4996 119.2172 54.0196 44.4144 174.4459 55 T 5.2539 8.4648 110.0748 60.0539 72.2799 172.9880 56 A 4.9355 8.9713 123.4032 50.5068 22.8789 176.6994 57 A 4.8266 9.9729 122.7967 51.9217 19.8335 176.4457 58 D 5.0496 7.4533 115.0550 51.0452 43.5306 176.3498 59 G 3.6559 8.5995 106.8025 47.7489 0.0000 176.0750 60 E 3.9359 8.1832 120.3419 59.4509 29.6770 178.7413 61 E 3.9375 9.0787 119.4578 59.0493 29.5499 178.7285 62 A 3.9852 8.0177 120.9418 55.0981 18.5142 179.6344 63 V 3.5036 7.6067 116.3643 66.2154 31.5998 178.1521 64 I 3.6157 7.5667 119.0970 64.5787 37.1118 178.7192 65 K 4.0245 8.2236 119.1522 59.3164 31.8211 178.9697 66 Y 3.8432 8.4600 120.4941 60.6459 38.5466 178.1791 67 K 3.8119 7.8318 118.2311 59.2149 32.0851 178.5106 68 N 4.3604 7.9389 116.6656 56.4723 39.1158 175.8002 69 H 4.5102 8.5851 115.7652 56.9757 29.4508 179.2982 70 Y 3.6029 8.3935 120.6867 59.1662 41.1846 174.7276 71 P 3.3707 0.0000 0.0000 65.1215 31.6720 176.9700 72 N 4.4730 8.1305 114.8297 53.9272 38.8679 174.9896 73 I 4.0629 6.9634 120.1863 60.8404 37.4627 175.3798 74 D 4.7107 8.6945 126.0890 56.2789 41.8308 176.8870 75 I 4.7192 7.4864 116.5343 59.7091 41.8381 173.4233 76 V 4.9192 8.9514 128.2375 61.2484 34.4222 173.9982 77 T 4.9475 8.5614 118.0378 60.1369 71.1448 173.3721 78 L 4.6927 8.7591 126.8685 53.7765 46.1938 176.4291 *80 I 4.0482 8.3783 118.3820 61.6384 38.7611 176.2118 81 T 4.3548 7.7350 119.6828 63.9376 68.0985 173.9392 82 M 4.7736 8.0437 124.6807 53.2647 35.9999 173.1525 83 P 4.4360 0.0000 0.0000 62.7624 32.4657 177.1093 84 K 3.9957 8.8531 122.1459 58.0037 31.0273 176.2458 85 M 4.6013 7.3059 117.5465 53.1178 34.9953 173.7990 86 D 5.0675 8.6576 126.4976 52.7658 42.1354 177.4880 87 G 3.6628 9.0881 107.3321 47.6015 0.0000 176.3864 88 I 3.7734 7.9292 122.3304 64.7525 37.3123 178.5232 89 T 3.9013 8.0114 116.1440 66.5924 68.2321 176.1745 90 C 4.0568 8.1286 120.6819 62.2344 31.5109 175.1375 91 L 3.8754 8.0318 122.0404 58.5917 41.6187 179.2341 92 S 4.0865 7.8880 114.3323 61.4834 62.7209 176.3606 93 N 4.2796 8.0460 119.4328 56.7461 38.7501 177.1292 94 I 3.5954 7.9521 121.5529 64.6635 36.9312 178.4396 95 M 4.3051 8.0442 118.7021 58.0958 31.7585 178.2016 96 E 4.0423 8.1193 119.1329 59.1583 29.9235 178.3576 97 F 4.5326 8.0641 119.5512 59.7494 39.8995 174.4768 98 D 4.2522 8.4555 119.9249 51.9813 42.3916 175.7366 99 K 4.0532 8.5872 126.8347 58.7120 32.1967 177.8244 100 N 4.6844 8.2630 114.3665 52.6412 38.9977 175.2586 101 A 4.1718 7.7270 122.1000 52.6304 19.0197 177.5118 102 R 4.5501 8.5910 119.8017 54.5949 32.6419 174.8844 103 V 4.8678 8.3129 123.9921 60.9267 34.9861 174.0156 104 I 4.9147 8.9200 128.0611 59.7506 40.0449 174.6436 105 M 4.5105 8.5579 127.0755 54.8560 33.4047 175.7417 106 I 4.7472 8.2695 123.5374 59.7511 40.0650 174.4203 107 S 4.7325 8.6823 120.7969 56.4266 66.0134 174.6478 108 A 4.1893 8.8017 125.3437 53.8361 18.6015 177.7058 109 L 4.5473 8.3440 117.3450 53.9074 42.4885 176.8202 110 G 4.0895 8.4961 110.3673 44.0609 0.0000 172.6231 111 K 3.7357 8.1344 120.3776 56.7707 33.4724 176.9231 112 E 3.8212 8.7794 126.0544 59.4090 29.5175 178.8023 113 Q 3.9628 7.9255 119.2514 58.6512 29.2186 177.4517 114 L 3.9260 7.7782 121.1735 57.9430 42.1223 178.9017 115 V 3.1024 7.2683 117.6348 65.9058 31.3342 178.2258 116 K 3.9845 7.7576 117.6369 59.5708 31.8735 179.1552 117 D 4.3675 8.5310 119.6498 57.4767 40.6105 178.6619 118 C 4.2545 8.3118 117.4083 62.7196 28.1812 176.0886 119 L 4.4154 7.9298 122.0297 57.3642 40.9665 179.5917 120 I 3.7542 7.9001 119.2378 64.2565 37.1870 178.1027 121 K 4.2464 7.8285 116.7463 56.7776 32.0656 176.9956 122 G 3.7393 7.7346 106.8546 45.2537 0.0000 174.6773 123 A 4.2556 8.3318 124.6811 52.1303 19.0824 178.6051 124 K 4.0904 8.9670 122.1909 59.7465 32.9931 176.7405 125 T 4.6457 7.4930 112.1306 61.3783 71.0648 171.5407 126 F 5.3059 8.6885 123.7364 56.4903 42.9225 173.7204 127 I 4.7455 8.7155 125.1417 59.5786 40.7237 174.3664 128 V 4.9091 8.5371 126.6049 61.5263 32.7236 175.7114 129 K 4.4396 8.6338 127.1731 55.1056 33.1116 175.2997 130 P 4.4263 0.0000 0.0000 62.6175 31.9155 176.7384 131 L 4.4317 8.2312 121.6993 54.4815 42.9098 176.6934 132 D 4.7298 8.1326 119.7958 50.6800 43.3900 175.7723 133 R 3.7001 8.7451 123.1025 59.7995 29.9760 178.0525 134 A 3.9536 8.0339 119.5236 55.3839 18.2781 179.4432 135 K 3.8433 7.7986 115.2273 59.6249 32.1544 179.5447 136 V 3.5268 7.4494 117.7960 66.1861 31.4935 178.0168 137 L 3.8846 7.9232 118.5550 57.8341 41.2126 179.3527 138 Q 4.0100 8.0073 118.5192 59.1597 29.1420 178.2475 139 R 4.1007 8.1831 119.2223 59.2477 30.2044 179.0364 140 V 3.7170 8.2051 118.4861 66.3628 31.6406 177.6420 141 M 4.3398 8.1673 117.3520 57.2303 31.7580 178.6021 142 S 4.3653 7.8054 114.2402 60.8818 63.1744 175.0711 143 V 4.1681 7.2387 114.1094 61.6034 31.0925 176.2119 144 F 4.4469 8.0418 116.2384 57.1126 39.5432 175.6551 145 V 4.1499 7.7274 120.3532 62.0766 32.5370 176.0598 146 K 4.2160 8.3927 121.1203 56.5266 32.4171 176.3836 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 13 S 8.33 4.31 0.00 3.88 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 14 K 8.56 4.07 0.00 1.70 1.61 0.00 1.44 0.00 0.00 1.21 0.00 0.00 2.47 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.98 1.20 7.81 15 P 0.00 4.46 0.00 2.32 2.22 0.00 3.84 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.03 0.00 16 R 10.11 3.99 0.00 1.75 2.03 0.00 3.22 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 17 G 8.17 2.21 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 0.00 18 I 6.60 3.76 0.96 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.36 0.04 0.00 0.00 19 N 7.46 3.75 0.00 1.44 2.27 0.00 0.00 6.93 6.96 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 20 Y 8.31 4.31 0.00 3.11 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 21 D 8.30 4.97 0.00 2.81 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 22 T 7.40 4.45 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 1.17 0.00 0.00 23 G 8.59 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 0.00 0.00 0.00 24 I 7.01 4.20 1.70 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.09 0.81 0.00 0.00 25 P 0.00 4.54 0.00 1.87 2.13 0.00 3.57 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 26 F 8.98 4.68 0.00 3.02 3.14 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 27 N 9.94 5.34 0.00 2.80 2.72 0.00 0.00 6.48 7.72 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 28 V 8.85 4.75 1.69 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 0.13 0.00 0.00 0.47 0.00 0.00 29 L 8.71 4.85 0.00 1.77 1.54 0.97 1.44 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 30 I 8.12 4.70 1.83 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 0.94 1.10 0.90 0.00 0.00 31 V 8.19 4.78 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 0.79 0.00 0.00 0.94 0.00 0.00 32 D 8.62 4.75 0.00 2.75 2.43 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 33 D 8.93 5.10 0.00 2.84 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 34 S 8.45 4.72 0.00 3.95 3.95 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 35 V 8.46 3.67 2.12 0.00 0.00 0.00 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 1.00 0.00 0.00 36 F 7.97 4.21 0.00 3.12 3.08 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 37 T 7.94 3.59 4.48 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 1.24 0.00 0.00 38 V 8.00 3.55 2.21 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 1.06 0.00 0.00 0.95 0.00 0.00 39 K 8.05 3.89 0.00 1.94 1.84 0.00 1.70 0.00 0.00 1.59 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.42 7.81 40 Q 7.68 3.76 0.00 1.77 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 41 L 7.91 3.98 0.00 1.95 1.85 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.14 3.95 4.41 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 1.24 0.00 0.00 43 Q 8.13 3.99 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 44 I 7.70 3.59 1.71 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.92 0.43 0.00 0.00 45 F 8.29 4.18 0.00 3.11 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 46 T 8.61 4.36 4.30 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 1.36 0.00 0.00 47 S 8.25 4.10 0.00 4.02 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 48 E 7.95 4.37 0.00 2.16 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.49 0.00 49 G 8.34 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 50 F 8.52 4.51 0.00 3.26 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 51 N 9.07 5.12 0.00 2.83 2.79 0.00 0.00 7.58 7.35 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 52 I 8.43 4.39 1.87 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 1.27 0.96 0.90 0.00 0.00 53 I 8.38 3.77 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.60 0.81 0.00 0.00 54 D 7.50 4.60 0.00 2.61 2.43 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 55 T 8.46 5.25 4.30 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 1.19 0.00 0.00 56 A 8.97 4.94 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 57 A 9.97 4.83 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 58 D 7.45 5.05 0.00 3.12 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 59 G 8.60 3.66 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 0.00 0.00 0.00 60 E 8.18 3.94 0.00 2.15 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 2.39 2.35 0.00 61 E 9.08 3.94 0.00 1.98 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 0.00 2.31 2.33 0.00 62 A 8.02 3.99 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 3.50 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 0.93 0.00 0.00 0.96 0.00 0.00 64 I 7.57 3.62 1.99 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 1.72 1.00 0.88 0.00 0.00 65 K 8.22 4.02 0.00 1.91 1.91 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.58 7.81 66 Y 8.46 3.84 0.00 3.12 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 67 K 7.83 3.81 0.00 1.68 1.47 0.00 1.48 0.00 0.00 1.18 0.00 0.00 2.47 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.30 1.10 7.81 68 N 7.94 4.36 0.00 2.81 2.76 0.00 0.00 7.17 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 69 H 8.59 4.51 0.00 3.19 3.22 0.00 5.87 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 8.39 3.60 0.00 3.33 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 71 P 0.00 3.37 0.00 1.97 1.68 0.00 3.82 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 1.91 1.86 0.00 72 N 8.13 4.47 0.00 2.74 2.86 0.00 0.00 7.03 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 6.96 4.06 1.60 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 1.17 0.27 0.98 0.00 0.00 74 D 8.69 4.71 0.00 2.92 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 75 I 7.49 4.72 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.58 0.85 0.00 0.00 76 V 8.95 4.92 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.18 0.00 0.00 77 T 8.56 4.95 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 1.22 0.00 0.00 78 L 8.76 4.69 0.00 1.65 1.47 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 *80 I 8.38 4.05 1.90 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.56 0.95 0.00 0.00 81 T 7.73 4.35 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 1.22 0.00 0.00 82 M 8.04 4.77 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.75 0.00 83 P 0.00 4.44 0.00 2.04 2.00 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 84 K 8.85 4.00 0.00 1.89 2.05 0.00 1.75 0.00 0.00 1.84 0.00 0.00 3.11 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.40 7.81 85 M 7.31 4.60 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.52 0.00 86 D 8.66 5.07 0.00 3.08 2.78 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 87 G 9.09 3.66 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 0.00 0.00 0.00 88 I 7.93 3.77 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.98 0.93 0.00 0.00 89 T 8.01 3.90 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 1.20 0.00 0.00 90 C 8.13 4.06 0.00 3.10 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 91 L 8.03 3.88 0.00 2.00 1.77 0.98 1.01 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 92 S 7.89 4.09 0.00 4.06 3.89 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 93 N 8.05 4.28 0.00 2.92 2.94 0.00 0.00 7.20 7.37 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 94 I 7.95 3.60 1.67 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 1.25 0.42 0.09 0.00 0.00 95 M 8.04 4.31 0.00 1.94 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.62 0.00 96 E 8.12 4.04 0.00 2.09 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 0.00 2.32 2.46 0.00 97 F 8.06 4.53 0.00 2.99 3.16 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 98 D 8.46 4.25 0.00 2.25 2.57 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 0.00 0.00 0.00 0.00 99 K 8.59 4.05 0.00 1.75 1.84 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.78 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.40 7.81 100 N 8.26 4.68 0.00 2.92 2.87 0.00 0.00 6.92 6.65 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 0.00 101 A 7.73 4.17 1.27 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 0.00 0.00 0.00 102 R 8.59 4.55 0.00 1.82 1.80 0.00 2.77 0.00 0.00 3.04 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 103 V 8.31 4.87 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 1.10 0.00 0.00 0.88 0.00 0.00 104 I 8.92 4.91 1.88 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.52 0.90 0.00 0.00 105 M 8.56 4.51 0.00 1.24 0.87 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.64 0.00 106 I 8.27 4.75 1.80 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.51 0.87 0.00 0.00 107 S 8.68 4.73 0.00 3.79 3.56 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 0.00 108 A 8.80 4.19 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 0.00 109 L 8.34 4.55 0.00 1.73 1.69 0.97 0.84 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 0.00 110 G 8.50 4.09 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 0.00 111 K 8.13 3.74 0.00 1.80 1.68 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.50 7.81 112 E 8.78 3.82 0.00 2.00 1.88 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 2.31 2.30 0.00 113 Q 7.93 3.96 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.61 0.00 114 L 7.78 3.93 0.00 1.76 1.75 0.96 0.99 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 0.00 115 V 7.27 3.10 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 0.79 0.00 0.00 0.01 0.00 0.00 116 K 7.76 3.98 0.00 1.95 1.82 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.65 7.81 117 D 8.53 4.37 0.00 2.81 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 0.00 118 C 8.31 4.25 0.00 3.33 3.12 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 4.42 0.00 1.87 1.74 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 120 I 7.90 3.75 2.02 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 1.52 0.72 0.91 0.00 0.00 121 K 7.83 4.25 0.00 1.90 1.86 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.48 1.70 7.81 122 G 7.73 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 0.00 0.00 0.00 123 A 8.33 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 0.00 124 K 8.97 4.09 0.00 1.64 1.89 0.00 1.74 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.51 7.81 125 T 7.49 4.65 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 0.00 126 F 8.69 5.31 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 0.00 127 I 8.72 4.75 1.82 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 1.14 0.88 0.92 0.00 0.00 128 V 8.54 4.91 2.16 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 0.87 0.00 0.00 1.10 0.00 0.00 129 K 8.63 4.44 0.00 1.74 1.76 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.50 7.81 130 P 0.00 4.43 0.00 2.07 2.03 0.00 3.70 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 2.05 2.14 0.00 131 L 8.23 4.43 0.00 1.60 1.54 0.87 0.95 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 0.00 132 D 8.13 4.73 0.00 2.82 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 0.00 133 R 8.75 3.70 0.00 1.83 1.94 0.00 3.17 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 134 A 8.03 3.95 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 0.00 135 K 7.80 3.84 0.00 2.21 1.87 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.54 1.60 7.81 136 V 7.45 3.53 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 0.79 0.00 0.00 0.86 0.00 0.00 137 L 7.92 3.88 0.00 1.83 1.69 0.88 0.41 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 0.00 138 Q 8.01 4.01 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.46 0.00 139 R 8.18 4.10 0.00 2.05 2.00 0.00 3.40 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.81 0.00 140 V 8.21 3.72 2.29 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 1.17 0.00 0.00 1.11 0.00 0.00 141 M 8.17 4.34 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.91 0.00 142 S 7.81 4.37 0.00 4.03 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 0.00 143 V 7.24 4.17 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 0.74 0.00 0.00 1.11 0.00 0.00 144 F 8.04 4.45 0.00 3.23 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 0.00 145 V 7.73 4.15 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.04 0.00 0.00 146 K 8.39 4.22 0.00 1.78 1.68 0.00 1.89 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.44 7.81 * Residues marked with a * may have inaccurate shift predictions.