NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.3954 8.3344 115.4196 57.9451 64.4862 172.3216 8 K 4.1577 8.0648 120.4417 54.6333 32.5912 174.9557 9 D 4.6298 8.4121 124.1846 57.8114 42.2853 177.1405 10 I 4.0772 7.6035 112.1541 62.4904 39.0150 178.3875 11 R 4.5495 7.3470 125.9390 55.7416 28.8619 178.3844 12 D 4.3495 8.6522 126.2777 56.7919 40.2991 176.3257 13 Y 4.7684 7.5138 119.0546 56.7486 36.8204 176.0942 14 S 4.6014 8.6130 121.3667 57.6838 65.5117 175.0337 15 G 3.5966 8.5029 107.0663 48.1848 0.0000 175.9243 16 L 4.1350 7.8881 121.1199 57.0591 41.7702 179.0880 17 E 3.9490 8.1254 119.1720 59.4365 29.7093 178.9690 18 L 4.0252 8.0068 118.4401 57.4855 41.5503 179.2191 19 A 4.0499 8.0345 120.7051 54.3592 18.0434 179.4571 20 F 4.1721 7.8927 119.0610 61.3953 39.8054 176.8073 21 L 4.0179 7.6970 119.1488 58.2044 41.9302 178.8149 22 G 3.7824 8.0519 105.6367 48.2284 0.0000 174.8740 23 D 4.4088 8.4140 120.0159 56.9999 41.1576 178.2171 24 A 3.9840 7.9180 121.4030 54.9427 18.6179 179.6905 25 I 3.6545 7.4666 117.8836 63.9779 37.1745 178.3115 26 W 4.1616 8.5201 129.7434 60.3010 30.4263 177.8433 27 E 3.9224 8.1337 118.6092 59.3458 28.9982 178.7150 28 L 3.9019 7.8700 120.1444 58.6404 41.8523 179.1518 29 E 3.9148 7.7537 116.5606 59.4390 29.5783 179.0980 30 I 3.6355 7.4983 119.9283 64.1871 36.8726 178.2950 31 R 4.0058 8.4036 119.0389 59.6426 29.8212 178.9101 32 K 3.8926 7.9236 117.9116 59.5864 32.2913 177.4384 33 Y 4.0796 8.0411 120.2065 60.9291 38.8045 176.3962 34 Y 5.0174 7.8989 113.4744 58.5945 37.9245 175.4549 35 L 4.5693 7.5460 120.7963 54.8976 42.3312 176.5407 36 Q 4.2402 7.0857 112.9224 56.7471 29.3228 176.3303 37 F 4.1901 7.6250 116.4336 57.6530 39.3722 175.6268 38 G 3.7440 7.9124 108.0461 46.6353 0.0000 173.6357 39 Y 4.3711 7.7569 116.0551 57.1364 38.7819 176.2554 40 N 4.6919 8.5028 120.2003 52.2415 39.8504 175.9914 41 I 3.6583 8.3331 121.8356 64.3741 37.2685 176.5347 42 P 4.1915 0.0000 0.0000 66.3557 30.9368 178.4725 43 T 3.4164 7.6032 114.8512 66.0406 68.4478 176.1172 44 L 3.7489 7.9144 122.4860 58.2714 41.9327 178.9202 45 N 4.2628 8.0561 116.1919 56.0295 38.4392 177.0974 46 K 3.7734 7.5575 120.4931 59.8292 32.0021 178.2883 47 Y 3.9408 7.1907 115.2177 61.0188 37.7753 178.5555 48 V 3.8652 7.6860 119.0884 65.8630 31.7894 177.8633 49 K 3.9373 8.7463 119.5572 59.6213 31.8209 178.5970 50 A 4.0431 8.0930 119.9068 54.3202 18.3298 178.7040 51 K 3.8190 7.5041 114.0631 56.3249 32.6564 177.0948 52 V 4.6512 7.5402 118.7097 63.3412 33.5675 175.7475 53 N 4.5152 8.0374 116.6937 52.5017 37.9574 175.6370 54 A 3.8469 8.7737 121.7444 55.4012 18.4350 179.9346 55 K 4.0155 8.1672 117.6721 59.2410 32.1330 178.3788 56 Y 4.0832 9.1260 119.5114 61.1015 38.7682 178.2094 57 Q 3.7241 8.0724 118.6540 58.9113 28.6191 178.9512 58 S 3.9914 7.9759 114.0127 61.2855 62.1901 175.8718 59 L 3.8483 7.2833 121.2138 58.4289 42.2316 178.6684 60 I 3.6906 7.3962 119.5543 64.4610 36.8805 177.5580 61 Y 3.9896 8.4064 120.6279 60.7080 38.5207 178.2175 62 K 3.7864 8.2738 118.4549 58.1780 32.3013 177.9986 63 K 4.3029 7.5272 118.4867 56.3689 32.7141 176.2817 64 I 4.3800 7.2383 109.8578 60.4670 39.4693 177.0126 65 I 3.4857 7.5186 121.5256 64.1693 37.6872 176.6797 66 N 4.4583 8.0017 117.1093 56.2142 38.5970 175.7854 67 D 4.7257 7.5664 114.8528 54.2980 40.9385 175.8340 68 L 4.7871 7.1595 118.6529 52.4764 44.1053 176.2589 69 D 4.4901 8.7819 121.5001 54.7894 41.5391 177.6147 70 E 3.9392 8.9768 122.3042 59.4680 29.2780 178.9254 71 E 3.7504 8.0323 118.7847 59.4359 29.6245 178.6943 72 F 4.3481 7.7495 116.4555 59.7437 39.0424 178.0517 73 K 4.0791 8.0033 118.3330 59.2349 31.7632 179.2592 74 V 3.6023 7.6205 118.7579 65.9457 31.4351 178.0623 75 I 3.8319 7.4288 119.1722 64.5416 37.0374 178.7231 76 G 3.6662 8.4111 106.5266 47.4814 0.0000 175.4079 77 K 3.9392 8.2084 121.8433 59.5554 32.3621 178.8002 78 R 4.1065 8.4107 116.0021 58.8536 29.4295 178.4105 79 A 3.9999 8.1520 121.9031 55.0276 18.0753 179.7470 80 K 4.0712 7.8644 116.2947 59.4578 32.2290 178.5035 81 N 4.7195 7.5564 113.7643 52.7114 38.8082 175.5901 82 S 4.3959 6.9626 115.5535 57.7481 63.8636 173.9552 83 N 4.4608 8.2943 118.5504 53.4763 39.0924 175.4935 *85 K 4.4179 8.5219 119.9215 56.2231 34.0154 176.6463 86 T 4.5997 7.3701 112.3495 61.0952 71.7238 173.9150 87 F 4.4624 8.5938 123.7194 56.6710 39.5154 173.0423 88 P 4.3788 0.0000 0.0000 63.1437 31.8654 175.3651 89 R 4.4015 8.6364 115.4217 57.7771 31.5951 176.4259 90 S 4.7332 8.1392 108.2229 57.6634 62.8586 172.1397 91 C 4.9263 7.6324 112.4735 56.7352 32.8523 172.8784 92 T 4.3085 7.9793 116.2365 62.4885 67.7531 176.1439 93 V 3.7236 7.7797 118.5101 63.6366 31.1955 177.4916 *95 E 4.4720 8.3106 119.5800 56.0671 31.5150 177.7377 96 Y 3.9826 7.8611 118.6564 60.2717 38.5675 178.0095 97 K 4.0446 7.6202 118.9325 59.3652 32.1011 179.1535 98 E 3.2704 7.9522 118.1277 58.5381 29.3471 179.0439 99 A 3.6608 7.7287 121.2915 55.3257 18.4843 179.7932 100 T 3.6042 7.4262 107.6529 64.6841 68.5495 176.4261 101 A 3.8181 7.2159 123.8839 54.7630 18.3310 179.3235 102 L 3.9030 7.7311 119.1820 58.1744 42.0354 178.9010 103 E 3.7463 8.1954 118.6004 59.5280 29.4850 179.0533 104 A 3.7209 8.2769 120.9621 55.5542 18.0622 179.7524 105 I 3.9017 7.5712 117.3903 64.2467 37.3193 178.3750 106 I 3.9454 7.6864 120.1042 64.2341 37.3174 178.1407 107 G 3.9589 8.8217 107.3808 47.8476 0.0000 176.9512 108 A 4.0475 7.9456 122.0505 52.0656 18.4450 178.7874 *110 Y 4.4535 7.8366 122.3352 59.2960 40.3535 177.3001 111 L 4.0345 8.0734 117.3610 56.9307 41.7540 177.9040 112 L 4.5843 7.6857 117.2112 53.5995 41.7344 176.3636 113 K 3.7138 7.6602 116.5307 57.4250 30.7296 175.0374 114 K 4.4593 7.5838 115.0415 56.1783 32.8113 176.5413 115 E 4.5693 7.7779 118.0315 54.9900 27.9897 173.6271 116 E 4.8667 7.5551 121.8481 56.3010 37.4300 176.8179 117 E 4.0179 8.1948 118.3575 59.1664 29.2953 179.3090 118 I 3.7387 7.6555 119.6916 64.0171 37.2150 178.0068 119 K 3.8261 7.8733 120.0082 59.4914 31.9439 178.2307 120 K 3.8273 7.8708 118.6244 60.0016 32.3882 178.3015 121 I 3.9574 7.8019 119.6857 64.3990 37.2367 178.4919 122 I 3.6565 8.0739 120.9633 63.9710 36.6872 177.5968 123 N 4.3636 8.6912 117.8238 55.3845 38.7004 176.4010 124 I 3.7789 7.5242 113.7964 63.5970 37.8892 177.8681 125 V 4.1073 7.4066 112.4492 62.6609 31.6878 178.0771 126 I 3.5263 7.3567 112.5112 62.9421 37.9815 177.2429 127 K 4.5590 7.1965 117.0091 56.1209 32.9511 176.5173 128 G 3.7198 7.6401 113.3840 46.1539 0.0000 172.5738 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 7 S 8.33 4.40 0.00 3.88 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 8 K 8.06 4.16 0.00 1.94 1.72 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.58 7.81 9 D 8.41 4.63 0.00 2.76 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.60 4.08 1.89 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 1.44 0.73 0.92 0.00 0.00 11 R 7.35 4.55 0.00 2.04 1.38 0.00 3.18 0.00 0.00 3.17 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 12 D 8.65 4.35 0.00 2.46 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 13 Y 7.51 4.77 0.00 3.36 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 14 S 8.61 4.60 0.00 4.10 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.50 3.60 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 0.00 0.00 0.00 16 L 7.89 4.13 0.00 1.73 1.77 0.96 0.91 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 17 E 8.13 3.95 0.00 2.15 2.33 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 2.67 2.48 0.00 18 L 8.01 4.03 0.00 1.79 1.83 1.06 0.37 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 19 A 8.03 4.05 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 20 F 7.89 4.17 0.00 3.13 3.30 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 21 L 7.70 4.02 0.00 1.92 1.75 0.75 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.05 3.78 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 0.00 0.00 0.00 23 D 8.41 4.41 0.00 3.01 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.92 3.98 1.16 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 25 I 7.47 3.65 1.98 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.94 0.93 0.00 0.00 26 W 8.52 4.16 0.00 3.49 3.19 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 27 E 8.13 3.92 0.00 2.17 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 2.58 2.48 0.00 28 L 7.87 3.90 0.00 1.73 1.65 0.91 1.07 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 29 E 7.75 3.91 0.00 1.74 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 30 I 7.50 3.64 1.91 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.57 1.10 0.00 0.00 31 R 8.40 4.01 0.00 1.91 2.04 0.00 3.14 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 1.71 1.81 0.00 32 K 7.92 3.89 0.00 2.02 1.97 0.00 1.78 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.43 7.81 33 Y 8.04 4.08 0.00 2.78 2.75 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 0.00 0.00 0.00 0.00 34 Y 7.90 5.02 0.00 3.23 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 35 L 7.55 4.57 0.00 1.91 1.58 0.96 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.09 4.24 0.00 1.89 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.67 0.00 0.00 0.00 0.00 0.00 1.16 1.24 0.00 37 F 7.62 4.19 0.00 2.30 2.38 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 38 G 7.91 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 39 Y 7.76 4.37 0.00 2.97 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 40 N 8.50 4.69 0.00 2.94 2.96 0.00 0.00 6.00 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 41 I 8.33 3.66 1.85 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 1.69 1.08 0.90 0.00 0.00 42 P 0.00 4.19 0.00 2.18 2.27 0.00 3.55 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.03 0.00 43 T 7.60 3.42 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 0.18 0.00 0.00 44 L 7.91 3.75 0.00 1.78 1.88 1.11 0.90 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 45 N 8.06 4.26 0.00 2.89 2.80 0.00 0.00 6.63 7.14 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 46 K 7.56 3.77 0.00 1.79 1.64 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.43 7.81 47 Y 7.19 3.94 0.00 2.44 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 48 V 7.69 3.87 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 1.06 0.00 0.00 1.10 0.00 0.00 49 K 8.75 3.94 0.00 1.95 1.96 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.48 7.81 50 A 8.09 4.04 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 51 K 7.50 3.82 0.00 1.79 1.85 0.00 0.84 0.00 0.00 0.61 0.00 0.00 2.94 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.71 7.81 52 V 7.54 4.65 2.39 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 1.00 0.00 0.00 1.21 0.00 0.00 53 N 8.04 4.52 0.00 3.09 3.12 0.00 0.00 6.70 7.36 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 54 A 8.77 3.85 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 55 K 8.17 4.02 0.00 2.11 1.95 0.00 2.29 0.00 0.00 1.75 0.00 0.00 3.14 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.90 1.42 7.81 56 Y 9.13 4.08 0.00 3.09 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 57 Q 8.07 3.72 0.00 1.92 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.26 2.42 0.00 58 S 7.98 3.99 0.00 4.06 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 59 L 7.28 3.85 0.00 1.59 1.58 0.89 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 60 I 7.40 3.69 1.81 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.34 0.95 0.00 0.00 61 Y 8.41 3.99 0.00 2.87 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 62 K 8.27 3.79 0.00 1.71 1.82 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.99 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.72 7.81 63 K 7.53 4.30 0.00 1.77 1.89 0.00 1.71 0.00 0.00 1.74 0.00 0.00 3.06 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.38 7.81 64 I 7.24 4.38 1.81 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.88 0.00 0.00 65 I 7.52 3.49 0.84 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 0.88 0.50 0.56 0.00 0.00 66 N 8.00 4.46 0.00 2.73 2.80 0.00 0.00 7.12 8.08 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 67 D 7.57 4.73 0.00 2.68 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 68 L 7.16 4.79 0.00 1.88 1.66 0.97 0.86 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 69 D 8.78 4.49 0.00 3.02 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 70 E 8.98 3.94 0.00 2.06 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 2.37 2.43 0.00 71 E 8.03 3.75 0.00 1.81 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 1.47 1.99 0.00 72 F 7.75 4.35 0.00 3.30 3.11 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 0.00 0.00 0.00 0.00 73 K 8.00 4.08 0.00 1.98 1.89 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.68 1.84 7.81 74 V 7.62 3.60 2.18 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 1.13 0.00 0.00 0.98 0.00 0.00 75 I 7.43 3.83 2.16 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 1.52 0.44 1.04 0.00 0.00 76 G 8.41 3.67 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 0.00 0.00 0.00 77 K 8.21 3.94 0.00 2.06 2.04 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.51 7.81 78 R 8.41 4.11 0.00 2.09 2.19 0.00 2.86 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.67 0.00 79 A 8.15 4.00 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 80 K 7.86 4.07 0.00 1.88 1.85 0.00 1.75 0.00 0.00 1.93 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.44 7.81 81 N 7.56 4.72 0.00 2.69 2.86 0.00 0.00 7.08 7.41 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 82 S 6.96 4.40 0.00 3.97 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 8.29 4.46 0.00 2.75 2.81 0.00 0.00 6.93 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 *85 K 8.52 4.42 0.00 1.75 1.91 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.38 1.57 7.81 86 T 7.37 4.60 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 87 F 8.59 4.46 0.00 2.85 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 88 P 0.00 4.38 0.00 2.30 2.20 0.00 3.43 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.86 0.00 89 R 8.64 4.40 0.00 1.79 2.00 0.00 3.25 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 90 S 8.14 4.73 0.00 3.86 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 91 C 7.63 4.93 0.00 3.09 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 92 T 7.98 4.31 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 1.16 0.00 0.00 93 V 7.78 3.72 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 0.73 0.00 0.00 0.35 0.00 0.00 *95 E 8.31 4.47 0.00 2.17 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 2.30 2.36 0.00 96 Y 7.86 3.98 0.00 3.13 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 97 K 7.62 4.04 0.00 1.84 1.79 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.83 7.81 98 E 7.95 3.27 0.00 1.86 1.71 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 2.32 2.32 0.00 99 A 7.73 3.66 1.07 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 0.00 0.00 100 T 7.43 3.60 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 1.05 0.00 0.00 101 A 7.22 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.73 3.90 0.00 1.64 1.46 0.18 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 103 E 8.20 3.75 0.00 2.02 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 0.00 2.06 2.19 0.00 104 A 8.28 3.72 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 0.00 105 I 7.57 3.90 2.01 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.93 0.79 0.00 0.00 106 I 7.69 3.95 2.06 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.88 1.03 0.00 0.00 107 G 8.82 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 0.00 108 A 7.95 4.05 1.60 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 0.00 0.00 *110 Y 7.84 4.45 0.00 3.16 3.21 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 0.00 111 L 8.07 4.03 0.00 1.69 1.74 0.35 0.90 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 0.00 112 L 7.69 4.58 0.00 1.79 1.74 1.13 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 113 K 7.66 3.71 0.00 1.75 1.78 0.00 1.44 0.00 0.00 1.57 0.00 0.00 2.98 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.33 1.25 7.81 114 K 7.58 4.46 0.00 1.90 1.74 0.00 1.67 0.00 0.00 1.88 0.00 0.00 3.18 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.58 1.52 7.81 115 E 7.78 4.57 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.37 0.00 116 E 7.56 4.87 0.00 2.04 1.84 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 2.28 2.37 0.00 117 E 8.19 4.02 0.00 1.92 1.84 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 2.32 2.46 0.00 118 I 7.66 3.74 1.90 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 0.69 0.97 0.00 0.00 119 K 7.87 3.83 0.00 1.80 2.09 0.00 1.72 0.00 0.00 1.90 0.00 0.00 2.87 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.46 7.81 120 K 7.87 3.83 0.00 1.77 2.03 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.50 7.81 121 I 7.80 3.96 2.10 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 1.52 1.10 1.12 0.00 0.00 122 I 8.07 3.66 1.73 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.07 0.60 0.00 0.00 123 N 8.69 4.36 0.00 2.87 2.75 0.00 0.00 6.85 7.80 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 0.00 124 I 7.52 3.78 1.88 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.73 0.98 0.00 0.00 125 V 7.41 4.11 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.78 0.00 0.00 126 I 7.36 3.53 0.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.26 -0.06 0.00 0.00 127 K 7.20 4.56 0.00 1.98 1.92 0.00 1.42 0.00 0.00 1.69 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.62 7.81 128 G 7.64 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.