NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3298 8.3044 120.3505 55.2599 32.9565 174.3687 2 R 4.0940 8.3795 127.3392 55.3453 30.9460 174.1905 3 H 5.0575 9.3733 123.4300 54.3970 31.4269 174.4888 4 I 4.1815 8.2767 122.2859 61.3216 37.8761 176.8867 5 S 4.6251 8.9441 119.5304 56.9980 65.5769 173.6040 6 P 4.2578 0.0000 0.0000 66.2354 31.0655 178.8419 7 E 3.9889 8.1013 116.7138 59.3548 29.4246 179.0238 8 E 3.9937 8.2397 118.7829 59.1758 29.5223 179.1297 9 L 3.9696 7.9363 120.3948 58.2649 42.1083 179.1124 10 I 3.7417 8.1150 119.8087 64.2147 37.0238 178.2548 11 A 3.9918 7.9746 121.4963 55.2418 18.3157 179.5493 12 L 3.9616 8.0985 117.5711 58.2848 41.7035 179.3911 13 H 4.1924 8.3314 118.0007 59.3638 29.8376 177.0274 14 D 4.3292 8.4608 120.7497 57.2450 40.6024 178.4933 15 A 3.9709 7.9979 121.1915 55.5512 18.1323 179.5601 16 N 4.5007 8.1744 114.3248 55.9312 38.3177 178.0249 17 I 3.7966 7.4500 120.9941 64.4107 37.3598 177.9463 18 S 4.2636 8.1391 114.9124 61.9256 62.8309 176.6337 19 R 3.8089 8.0953 119.8762 60.4531 30.1382 175.4331 20 Y 5.0602 7.4117 116.5317 57.6406 39.2862 172.8797 21 G 4.2430 8.0173 109.5496 47.1039 0.0000 174.4104 *29 P 4.5281 0.0000 0.0000 61.2083 32.2777 178.8835 30 G 4.1570 8.8978 116.8796 46.5829 0.0000 175.6457 31 R 3.9386 8.2497 124.6132 60.7353 29.3431 181.4356 32 A 4.2535 7.9874 120.6847 55.1674 18.3115 179.0987 33 E 3.8832 8.2217 116.3047 59.9446 29.6657 179.5994 34 A 3.9814 7.6914 119.3978 54.8412 18.4627 179.8484 35 I 3.5954 8.0273 118.9345 64.7272 37.2681 178.5895 36 I 3.8213 8.0994 120.9429 64.2505 36.7016 178.6117 37 G 3.6249 8.1155 105.8856 47.9573 0.0000 175.1930 38 R 3.9206 7.4593 119.5958 58.9970 29.8010 178.5354 39 V 3.5349 7.4356 117.6163 64.5659 31.5365 175.5753 40 Q 3.9761 8.0506 119.9315 57.4225 29.3563 177.1760 41 A 3.6906 9.0718 127.2222 54.8610 18.0132 179.5260 *42 R 4.0304 10.0712 112.0876 58.6021 29.4904 182.3867 43 V 4.4641 7.5849 107.0279 61.0609 32.4929 175.1044 44 A 5.0035 7.2094 123.4341 51.1214 18.9546 176.5057 45 Y 3.9122 8.9028 120.3130 59.1112 37.6602 170.3389 46 E 4.3716 7.7608 117.7193 58.4817 32.1978 175.1410 *47 E 3.5231 8.4605 117.7788 57.0463 26.4251 175.6711 48 I 3.3037 7.9842 130.8909 63.5055 34.4908 174.9508 *49 T 4.3893 7.6121 108.7299 60.4506 71.1775 176.2221 50 D 4.6946 7.8596 119.9542 54.0910 41.8253 176.0629 51 L 3.9050 8.5622 128.3213 58.2292 41.6250 179.6026 52 F 4.2173 7.8914 116.9622 60.4590 38.6868 177.1986 53 E 4.0424 8.3436 118.1902 59.1706 29.6724 178.6659 54 V 3.7027 7.9913 118.4701 66.0129 31.6460 177.5751 55 S 4.1990 8.6313 112.8685 61.8243 62.1563 176.3642 56 A 4.0955 8.3010 123.0429 55.3836 18.1022 179.8022 57 T 3.7820 8.0855 114.2952 67.0797 68.4775 176.3663 58 Y 4.0481 8.0540 118.1191 61.0756 37.8682 178.5656 59 L 4.0060 8.0169 121.1728 58.1471 42.1539 179.2567 60 V 3.6017 7.9012 118.0629 65.9851 31.5137 177.9391 61 A 4.0159 8.1527 120.5749 55.3408 18.2550 179.8285 62 T 4.0622 8.4375 114.4959 66.5342 68.4629 176.8167 63 A 4.0041 8.2218 122.7662 55.5271 18.2712 180.0151 64 R 4.1279 8.1902 115.3319 59.3355 30.1558 179.3236 65 G 3.5819 8.0419 104.9692 46.8474 0.0000 174.3455 66 Y 4.5461 7.7395 116.7922 59.3523 39.7970 177.2831 67 I 3.7212 7.8454 119.7811 64.3957 37.4818 177.3674 68 F 4.6110 7.4424 119.5944 56.3602 37.0606 174.7804 69 N 4.6750 7.7956 123.4226 52.2460 40.0214 175.6677 70 D 4.0865 8.2931 119.0764 57.2546 40.7268 178.8221 71 A 4.0916 7.7445 120.9282 54.9022 18.4579 178.8912 72 N 4.2822 8.6954 115.7308 56.8701 39.0213 176.8454 73 K 3.9039 8.3792 122.4518 60.6030 32.2587 180.1459 74 R 4.0355 8.0036 120.3820 61.6288 29.3579 180.7505 75 T 4.1994 8.2081 115.9718 66.4260 68.1964 176.7944 76 A 3.9880 8.0971 122.8217 54.9214 18.5509 179.4398 77 L 3.9262 8.2029 119.1674 58.5612 42.2105 178.9019 78 N 4.3857 8.6740 117.0243 56.3709 38.4308 177.5573 79 S 4.2172 8.2707 115.5855 61.1953 62.8369 176.3889 80 A 4.0473 7.7788 124.3242 54.9855 18.1027 179.6787 81 L 3.8906 7.9064 117.3049 57.5745 41.6752 179.1764 82 L 3.8902 8.2675 120.7865 58.2943 41.8790 178.6592 83 F 4.0809 8.2913 120.3266 61.5375 39.2575 177.1583 84 L 3.8624 7.7368 117.9776 57.6468 41.3874 179.6354 85 R 3.9966 8.2836 118.4836 59.4006 29.8145 179.3733 86 R 3.9972 8.0800 116.7258 58.1701 29.9392 177.8305 87 N 4.7815 7.2018 113.1586 52.5648 39.1252 175.4872 88 G 3.8589 7.8671 108.1968 45.1665 0.0000 173.9336 89 V 4.0185 7.3684 119.5088 61.3763 32.3784 175.7231 90 Q 4.1815 8.6003 126.4197 55.8482 29.2581 175.8497 91 V 3.7422 7.9959 115.2638 59.3817 34.8590 174.5609 92 F 4.9737 7.2185 114.9483 55.2980 40.5703 173.5610 93 D 4.5572 8.7121 121.4612 54.4003 42.0247 175.4513 94 S 4.8372 8.3307 119.0847 54.9441 65.4275 172.9475 95 P 4.3618 0.0000 0.0000 65.8583 31.1492 178.4833 96 E 3.7416 8.2758 118.1797 59.4664 29.4012 179.0184 97 L 4.0088 7.8956 118.2596 57.5859 41.5932 179.4818 98 A 3.9922 7.5625 120.5489 55.3534 18.5063 179.4310 99 D 4.3328 8.0129 116.7253 56.7798 41.0010 178.5468 100 L 3.9221 7.7648 121.0758 58.4557 41.9966 179.2414 101 T 3.7935 7.7032 115.0315 66.6459 68.4804 177.2420 102 V 3.5192 7.3435 113.8118 64.3412 31.5961 178.9037 103 G 3.5553 7.9020 104.7885 47.6508 0.0000 175.6363 104 A 4.1803 8.1636 124.2272 54.3413 18.1988 179.4311 105 A 3.6495 7.6815 118.5787 55.2211 18.3676 179.3338 106 T 4.2697 7.4581 105.5795 62.2426 69.4076 176.0217 107 G 3.9453 7.5789 109.5441 45.4802 0.0000 174.3346 108 E 4.0519 7.7684 119.0802 58.4960 29.4860 177.4614 109 I 4.4005 7.5027 120.1564 59.2424 39.1723 175.7231 110 S 4.2742 8.3733 120.3365 57.7545 65.1421 175.3745 111 V 3.5905 8.3926 123.3719 65.7237 30.7986 178.8112 112 S 4.1544 7.9851 115.0616 61.0834 62.7842 176.4258 113 S 4.1042 7.7319 115.9228 61.1168 62.0923 176.4628 114 V 3.5164 7.7088 120.3998 65.9177 31.2510 177.7822 115 A 4.0124 8.0052 120.5546 55.3946 18.1954 179.1582 116 D 4.2571 8.2658 116.3864 57.6252 41.3260 178.6241 117 T 3.8723 7.7855 116.3784 66.4013 68.3114 176.7430 118 L 3.9254 7.8914 121.0336 57.6711 41.7792 179.3359 119 R 3.8962 8.3159 119.0410 59.4202 29.7136 178.6137 120 R 3.9023 7.7772 117.8219 59.2316 30.1611 178.2275 121 L 4.0197 7.4744 117.6862 57.1583 41.7201 177.5057 122 Y 4.8460 7.8722 113.2927 57.7413 39.6446 176.0935 123 G 4.0247 7.6960 108.5657 44.4753 0.0000 172.9790 124 S 4.4486 8.1826 112.6029 56.3241 64.9849 173.3958 125 A 4.1229 8.5886 129.4807 53.2583 18.8485 175.6551 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.33 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.73 0.00 2 R 8.38 4.09 0.00 1.83 1.72 0.00 3.24 0.00 0.00 3.19 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.71 0.00 3 H 9.37 5.06 0.00 3.26 3.28 0.00 5.75 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.28 4.18 1.98 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 1.55 0.65 0.96 0.00 0.00 5 S 8.94 4.63 0.00 4.06 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 6 P 0.00 4.26 0.00 2.18 2.17 0.00 3.61 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 7 E 8.10 3.99 0.00 2.11 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 2.40 1.97 0.00 8 E 8.24 3.99 0.00 2.21 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 0.00 2.34 2.33 0.00 9 L 7.94 3.97 0.00 1.80 1.80 0.95 1.12 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 10 I 8.12 3.74 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 1.47 0.58 0.94 0.00 0.00 11 A 7.97 3.99 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 12 L 8.10 3.96 0.00 1.86 1.78 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.33 4.19 0.00 3.22 3.46 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.46 4.33 0.00 2.73 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 15 A 8.00 3.97 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.17 4.50 0.00 2.85 3.08 0.00 0.00 7.11 7.29 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 17 I 7.45 3.80 1.96 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 1.50 0.62 0.92 0.00 0.00 18 S 8.14 4.26 0.00 3.90 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 19 R 8.10 3.81 0.00 1.66 1.49 0.00 2.21 0.00 0.00 2.25 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.38 0.00 20 Y 7.41 5.06 0.00 3.09 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.02 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 0.00 0.00 0.00 0.00 *29 P 0.00 4.53 0.00 2.16 1.38 0.00 3.75 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 1.94 2.11 0.00 30 G 8.90 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 0.00 0.00 0.00 31 R 8.25 3.94 0.00 1.83 1.94 0.00 3.26 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 32 A 7.99 4.25 1.41 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 0.00 0.00 33 E 8.22 3.88 0.00 2.21 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 0.00 2.41 2.41 0.00 34 A 7.69 3.98 1.28 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 0.00 0.00 0.00 35 I 8.03 3.60 2.03 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 1.46 1.02 1.00 0.00 0.00 36 I 8.10 3.82 1.90 0.00 0.00 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 1.75 0.92 0.96 0.00 0.00 37 G 8.12 3.62 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 0.00 0.00 0.00 38 R 7.46 3.92 0.00 1.91 2.13 0.00 3.22 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 39 V 7.44 3.53 1.75 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 -0.21 0.00 0.00 0.61 0.00 0.00 40 Q 8.05 3.98 0.00 2.24 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.62 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 41 A 9.07 3.69 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 *42 R 10.07 4.03 0.00 1.85 1.87 0.00 3.21 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.48 0.00 43 V 7.58 4.46 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.88 0.00 0.00 44 A 7.21 5.00 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 45 Y 8.90 3.91 0.00 3.00 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 46 E 7.76 4.37 0.00 2.18 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 2.26 2.29 0.00 *47 E 8.46 3.52 0.00 2.16 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 2.11 1.88 0.00 48 I 7.98 3.30 1.90 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 1.30 1.37 0.92 0.00 0.00 *49 T 7.61 4.39 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 50 D 7.86 4.69 0.00 2.84 2.65 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 0.00 0.00 0.00 0.00 51 L 8.56 3.90 0.00 1.19 1.37 0.77 1.04 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 52 F 7.89 4.22 0.00 3.25 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 53 E 8.34 4.04 0.00 2.47 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 0.00 2.32 2.18 0.00 54 V 7.99 3.70 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 1.11 0.00 0.00 1.03 0.00 0.00 55 S 8.63 4.20 0.00 3.87 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 56 A 8.30 4.10 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.09 3.78 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 58 Y 8.05 4.05 0.00 3.20 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 59 L 8.02 4.01 0.00 1.97 1.85 0.95 0.97 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 60 V 7.90 3.60 2.10 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 1.07 0.00 0.00 0.99 0.00 0.00 61 A 8.15 4.02 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 62 T 8.44 4.06 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 1.45 0.00 0.00 63 A 8.22 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.19 4.13 0.00 1.88 2.09 0.00 3.20 0.00 0.00 3.38 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.00 65 G 8.04 3.58 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 0.00 0.00 0.00 66 Y 7.74 4.55 0.00 3.05 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 67 I 7.85 3.72 1.52 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 1.18 0.38 0.28 0.00 0.00 68 F 7.44 4.61 0.00 3.07 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 69 N 7.80 4.68 0.00 2.96 2.99 0.00 0.00 6.13 8.07 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 70 D 8.29 4.09 0.00 2.14 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 0.00 0.00 0.00 71 A 7.74 4.09 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.70 4.28 0.00 2.84 3.16 0.00 0.00 7.18 6.13 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 73 K 8.38 3.90 0.00 2.04 1.86 0.00 1.78 0.00 0.00 1.88 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.52 7.81 74 R 8.00 4.04 0.00 1.84 1.93 0.00 3.27 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 75 T 8.21 4.20 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 76 A 8.10 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 8.20 3.93 0.00 1.87 1.69 0.94 0.80 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 78 N 8.67 4.39 0.00 2.81 2.89 0.00 0.00 6.86 7.52 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 79 S 8.27 4.22 0.00 4.10 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 0.00 80 A 7.78 4.05 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 81 L 7.91 3.89 0.00 2.00 1.65 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.27 3.89 0.00 1.94 1.84 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.29 4.08 0.00 3.22 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 84 L 7.74 3.86 0.00 1.82 1.58 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 85 R 8.28 4.00 0.00 1.89 1.91 0.00 3.08 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 86 R 8.08 4.00 0.00 1.73 1.88 0.00 3.26 0.00 0.00 3.18 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 87 N 7.20 4.78 0.00 2.24 2.56 0.00 0.00 7.21 7.53 0.00 0.00 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 G 7.87 3.86 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 0.00 0.00 0.00 89 V 7.37 4.02 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 0.83 0.00 0.00 0.91 0.00 0.00 90 Q 8.60 4.18 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 91 V 8.00 3.74 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 0.26 0.00 0.00 0.76 0.00 0.00 92 F 7.22 4.97 0.00 3.19 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 93 D 8.71 4.56 0.00 2.72 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 94 S 8.33 4.84 0.00 3.87 3.58 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 95 P 0.00 4.36 0.00 2.31 2.31 0.00 3.81 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 2.09 2.08 0.00 96 E 8.28 3.74 0.00 2.00 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 2.37 2.39 0.00 97 L 7.90 4.01 0.00 1.80 1.73 1.00 0.80 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 98 A 7.56 3.99 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 99 D 8.01 4.33 0.00 2.68 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 0.00 100 L 7.76 3.92 0.00 1.93 1.86 0.89 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.70 3.79 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 1.22 0.00 0.00 102 V 7.34 3.52 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 0.90 0.00 0.00 0.96 0.00 0.00 103 G 7.90 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 0.00 0.00 0.00 104 A 8.16 4.18 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 0.00 105 A 7.68 3.65 0.23 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 0.00 106 T 7.46 4.27 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 1.35 0.00 0.00 107 G 7.58 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 0.00 0.00 0.00 108 E 7.77 4.05 0.00 1.99 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 2.33 2.41 0.00 109 I 7.50 4.40 1.83 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 1.33 0.90 0.88 0.00 0.00 110 S 8.37 4.27 0.00 4.03 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 0.00 111 V 8.39 3.59 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 0.84 0.00 0.00 0.90 0.00 0.00 112 S 7.99 4.15 0.00 3.88 3.94 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 0.00 113 S 7.73 4.10 0.00 3.86 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 0.00 114 V 7.71 3.52 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 0.94 0.00 0.00 0.94 0.00 0.00 115 A 8.01 4.01 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 0.00 116 D 8.27 4.26 0.00 2.81 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 0.00 117 T 7.79 3.87 4.34 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 1.13 0.00 0.00 118 L 7.89 3.93 0.00 1.90 1.85 0.97 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.32 3.90 0.00 1.96 2.11 0.00 3.10 0.00 0.00 3.11 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 120 R 7.78 3.90 0.00 1.84 2.15 0.00 3.29 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 121 L 7.47 4.02 0.00 1.22 0.30 0.80 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.87 4.85 0.00 2.99 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 0.00 123 G 7.70 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 0.00 124 S 8.18 4.45 0.00 3.82 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 0.00 125 A 8.59 4.12 1.26 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 * Residues marked with a * may have inaccurate shift predictions.