NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *3 F 4.5342 8.4245 119.0077 56.5469 38.8943 175.8528 4 K 4.2397 7.1828 127.9450 58.6812 32.7377 178.4680 5 K 4.2853 7.9973 124.7031 59.2199 32.4293 181.1870 6 V 3.7308 7.8130 116.7692 66.4203 31.5588 177.3185 7 A 4.0536 7.7297 122.3110 56.3420 18.1423 180.1204 8 K 3.9564 8.0362 121.3749 59.7031 31.7817 180.4202 9 E 4.1463 8.5425 119.3336 59.8856 29.5178 180.1911 10 T 3.8341 8.2255 115.2247 66.6278 68.5200 176.3989 11 A 3.9964 7.8523 122.4934 55.4875 18.3207 179.7165 12 I 3.6367 7.7506 117.9663 64.7286 37.1217 178.6524 13 T 3.8043 7.5755 116.5526 66.5809 68.3577 175.9079 14 L 3.8707 7.9018 122.1843 58.6356 41.9953 178.4126 15 Q 3.9095 8.2235 118.9991 59.8386 28.8702 178.7268 16 S 4.1665 8.2595 115.4105 61.6843 62.8876 176.5307 17 A 3.9379 8.3087 123.6874 55.2838 18.1426 179.4447 18 L 3.9519 8.5409 117.0213 58.2155 41.6905 179.9601 19 T 3.8346 8.3269 115.8283 66.6713 68.4672 176.1663 20 L 3.8179 8.1543 122.3685 58.2196 41.9331 178.7070 21 Q 3.9249 8.5500 119.5222 59.0813 28.9565 178.0365 22 A 3.9917 8.5794 121.9720 55.4102 18.4081 179.8088 23 V 3.7209 8.1553 116.3687 65.4320 31.3231 178.0686 24 R 3.9860 8.0047 118.6681 59.2817 30.0124 178.0954 25 L 3.9790 7.6704 118.7838 58.1059 41.7516 179.4050 26 I 3.7259 7.7963 119.6059 64.5914 36.9955 178.4722 27 S 4.1445 7.9044 113.9281 61.3937 62.3068 176.2062 28 Q 4.2394 7.6810 121.9793 58.6814 28.5303 178.4746 29 Q 4.1252 8.1378 118.9529 59.2965 28.5020 179.3314 30 L 4.0018 8.0058 119.5535 57.9375 41.7093 179.4324 31 S 4.1039 8.0669 117.4214 63.3134 62.6450 176.7337 32 E 4.0209 7.7425 117.9082 61.1973 29.4312 181.7556 33 T 4.2869 8.6195 112.0700 61.6314 68.9762 174.4200 34 N 4.7322 5.8522 126.7382 50.8505 40.0291 173.0911 35 P 4.5612 0.0000 0.0000 65.0633 31.8595 178.2038 36 G 3.6905 8.2822 105.5440 47.8241 0.0000 175.6023 37 Q 4.0496 8.0589 119.4368 58.9668 28.7451 178.2541 38 A 4.3144 7.5868 120.1261 55.2709 18.5628 179.6881 39 I 3.8513 8.1585 118.4357 64.2825 37.3449 177.9307 40 W 4.3766 8.0484 128.8383 60.8747 30.3921 177.6623 41 L 3.3948 8.9070 120.3408 58.2458 41.2149 178.6625 42 G 3.6065 7.9357 105.1859 47.3385 0.0000 174.5907 43 E 4.0120 8.0835 121.1024 58.7597 29.5760 179.1174 44 F 3.9034 8.3495 120.6165 61.1143 39.0926 176.7488 45 S 4.5028 8.0465 112.9364 59.9545 62.8111 175.6109 46 K 4.0998 7.6740 122.3201 58.6918 32.1561 178.1894 47 R 4.2496 7.2819 117.0710 56.6197 30.2013 176.1125 48 H 4.5263 7.2503 114.4088 52.9205 31.1658 170.8723 49 P 4.1218 0.0000 0.0000 62.7901 31.2172 177.3076 50 I 3.1448 8.3265 126.5088 63.9541 38.2834 177.5130 51 Q 4.1169 8.1492 118.1027 57.9159 28.1663 182.1311 52 E 4.5060 7.6400 120.7213 54.5241 28.4080 176.8639 53 S 4.1509 8.2419 118.4976 61.5231 63.4291 176.3676 54 D 4.4500 8.0847 122.2357 56.8937 40.6161 178.3788 55 L 4.0320 8.0330 119.0872 57.9537 41.6136 178.8174 56 Y 4.0540 8.0047 119.2317 60.7186 38.8219 178.0918 57 L 3.9563 8.6758 120.1162 57.9934 41.6174 179.0449 58 E 3.9573 8.1366 116.9429 59.6474 29.8396 179.1713 59 A 4.1678 8.3724 120.7634 55.5728 18.3808 179.3315 60 M 3.7114 8.0285 116.5848 58.9278 31.9866 178.0105 61 M 3.3446 7.8083 118.0415 58.1582 32.2361 177.7974 62 L 4.4324 7.5902 116.0728 55.2946 42.2697 176.9385 63 E 4.5701 8.8751 117.2473 56.6456 32.7154 176.1934 64 N 4.6534 7.6761 114.9399 50.8375 40.0701 174.1783 65 K 3.7852 8.0872 123.3073 59.8400 32.5360 178.2855 66 E 3.8813 8.0023 118.6012 59.2098 29.4943 178.5059 67 L 3.9477 8.2104 120.4758 57.7642 42.1770 178.6710 68 V 3.5838 7.6990 118.5177 66.3003 31.1234 178.0553 69 L 3.9810 7.6144 118.1866 57.7182 41.4258 179.4395 70 R 3.9110 7.7317 118.5457 59.6017 30.0301 178.2181 71 I 3.7162 7.9191 119.7235 64.8549 36.6799 178.2090 72 L 4.0725 7.9822 119.2662 57.9471 41.2795 179.7770 73 T 4.0322 7.5694 115.4163 66.1899 68.7047 177.1158 74 V 3.5728 7.8959 120.2925 66.2668 31.2434 178.0440 75 R 3.9230 8.4000 118.6072 59.3400 29.8398 178.0875 76 E 3.9843 7.8433 118.1370 59.0218 29.6549 178.2663 77 N 4.2970 8.4506 116.8311 56.3293 38.4578 176.9206 78 L 3.9100 7.7299 118.7551 58.0518 42.0591 179.0289 79 A 4.1535 7.5844 119.9531 55.5776 18.2437 179.2259 80 E 4.0084 8.2322 116.5513 59.7237 29.5037 179.7869 81 G 3.8954 8.3508 103.2252 46.3642 0.0000 173.8290 82 V 4.2618 7.5810 118.1323 64.2515 34.1513 177.1252 83 L 3.9425 8.3881 122.2377 58.7225 41.8242 180.1915 84 E 3.9641 8.3800 115.4079 59.6553 29.7124 180.7871 *85 F 4.3414 7.5830 116.0416 58.1131 38.5862 178.4160 86 L 4.2199 7.8508 120.0315 58.3652 41.9206 177.7117 87 P 4.2393 0.0000 0.0000 66.3593 31.3586 178.5828 88 E 4.2153 8.1204 110.0183 56.5695 29.7300 177.9789 89 M 4.5864 8.2168 118.4072 57.8731 34.4550 177.6738 90 V 3.7984 8.3472 119.4223 65.3426 31.5821 177.3276 91 L 3.8728 7.9614 119.4069 58.4616 41.7311 178.3170 92 S 4.0694 8.1684 112.1149 61.9295 61.6497 176.0270 93 Q 3.9651 8.2342 120.1514 58.9665 28.2470 178.7659 94 I 3.7737 8.4152 123.5503 65.1298 37.1886 178.8945 95 K 4.3561 8.2938 126.5109 60.8240 31.6927 181.5949 96 Q 4.2335 8.2749 122.3068 59.8754 27.9145 180.7802 97 S 4.1938 8.7869 114.9129 61.4278 62.5324 175.7302 98 N 4.4112 9.1964 120.4260 56.4805 38.2060 177.3315 99 G 3.5863 8.7102 107.0446 48.1431 0.0000 175.3113 100 N 4.2820 8.0610 119.3002 56.0365 38.4305 177.4306 101 H 4.3212 8.1627 117.5237 59.0105 28.9071 178.0711 102 R 3.9406 7.9994 119.8920 59.3320 30.0033 179.3978 103 R 3.9460 8.3813 118.2901 59.0883 29.9212 178.7502 104 S 4.2897 7.9838 112.3140 60.2850 62.6112 175.6753 105 L 4.0608 8.1196 123.3613 57.5124 41.7876 178.5997 106 L 4.2378 8.2386 121.6574 58.1008 41.6460 179.6465 107 E 4.0577 8.2413 120.3739 61.8059 29.3831 182.3058 108 R 4.2396 7.7456 122.9375 61.6435 29.4620 182.0176 109 L 4.4070 7.3759 122.5363 60.6206 41.1563 182.7338 110 T 4.2953 7.9721 117.0141 65.9663 68.4445 176.5843 111 Q 4.4683 8.1043 123.5496 54.7869 28.4734 176.9921 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 *3 F 8.42 4.53 0.00 2.32 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 0.00 0.00 0.00 0.00 4 K 7.18 4.24 0.00 1.83 1.68 0.00 1.76 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.36 1.13 7.81 5 K 8.00 4.29 0.00 1.75 1.85 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.44 1.07 7.81 6 V 7.81 3.73 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 1.06 0.00 0.00 0.93 0.00 0.00 7 A 7.73 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 8 K 8.04 3.96 0.00 1.78 1.79 0.00 1.83 0.00 0.00 1.82 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.10 7.81 9 E 8.54 4.15 0.00 2.10 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 2.34 2.39 0.00 10 T 8.23 3.83 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 1.21 0.00 0.00 11 A 7.85 4.00 1.39 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 0.00 0.00 0.00 12 I 7.75 3.64 2.04 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 0.78 0.91 0.00 0.00 13 T 7.58 3.80 4.38 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 1.20 0.00 0.00 14 L 7.90 3.87 0.00 1.96 1.80 0.92 0.57 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 15 Q 8.22 3.91 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.52 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 16 S 8.26 4.17 0.00 4.02 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 17 A 8.31 3.94 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 18 L 8.54 3.95 0.00 1.77 1.75 0.92 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.33 3.83 4.35 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 1.20 0.00 0.00 20 L 8.15 3.82 0.00 1.60 1.89 0.86 0.55 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 21 Q 8.55 3.92 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 22 A 8.58 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 23 V 8.16 3.72 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 1.10 0.00 0.00 1.08 0.00 0.00 24 R 8.00 3.99 0.00 2.17 1.90 0.00 3.14 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 25 L 7.67 3.98 0.00 1.79 1.71 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 26 I 7.80 3.73 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.85 0.97 0.00 0.00 27 S 7.90 4.14 0.00 4.04 4.03 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 28 Q 7.68 4.24 0.00 2.25 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.50 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 29 Q 8.14 4.13 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 30 L 8.01 4.00 0.00 2.06 1.78 1.14 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 31 S 8.07 4.10 0.00 3.90 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 32 E 7.74 4.02 0.00 2.12 1.78 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 2.27 2.20 0.00 33 T 8.62 4.29 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 1.27 0.00 0.00 34 N 5.85 4.73 0.00 2.67 2.74 0.00 0.00 7.22 7.59 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 35 P 0.00 4.56 0.00 2.33 2.52 0.00 3.77 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 36 G 8.28 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 37 Q 8.06 4.05 0.00 2.35 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.79 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 38 A 7.59 4.31 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 39 I 8.16 3.85 2.09 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 1.45 0.95 0.98 0.00 0.00 40 W 8.05 4.38 0.00 3.46 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.91 3.39 0.00 2.02 1.88 1.11 1.17 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 42 G 7.94 3.61 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 0.00 0.00 0.00 43 E 8.08 4.01 0.00 2.07 1.96 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 2.39 2.38 0.00 44 F 8.35 3.90 0.00 2.24 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 0.00 0.00 0.00 45 S 8.05 4.50 0.00 4.12 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 46 K 7.67 4.10 0.00 1.72 1.92 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.43 7.81 47 R 7.28 4.25 0.00 1.40 1.71 0.00 3.10 0.00 0.00 3.54 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.78 0.00 48 H 7.25 4.53 0.00 2.64 3.15 0.00 5.93 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 49 P 0.00 4.12 0.00 2.17 2.01 0.00 3.58 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 50 I 8.33 3.14 1.43 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.21 0.76 0.00 0.00 51 Q 8.15 4.12 0.00 2.11 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.10 0.00 0.00 0.00 0.00 0.00 2.28 1.97 0.00 52 E 7.64 4.51 0.00 2.09 1.96 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 2.30 2.29 0.00 53 S 8.24 4.15 0.00 4.08 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 54 D 8.08 4.45 0.00 2.75 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 55 L 8.03 4.03 0.00 1.89 1.79 0.95 0.81 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 56 Y 8.00 4.05 0.00 3.37 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 57 L 8.68 3.96 0.00 1.78 1.76 1.01 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.14 3.96 0.00 2.12 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 0.00 2.38 2.54 0.00 59 A 8.37 4.17 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 60 M 8.03 3.71 0.00 2.06 1.62 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.64 0.00 61 M 7.81 3.34 0.00 2.04 2.36 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 62 L 7.59 4.43 0.00 1.84 1.75 1.04 0.83 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 63 E 8.88 4.57 0.00 2.00 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 2.39 2.35 0.00 64 N 7.68 4.65 0.00 1.71 2.35 0.00 0.00 7.21 6.17 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 65 K 8.09 3.79 0.00 1.77 1.83 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.51 1.67 7.81 66 E 8.00 3.88 0.00 1.96 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 2.34 2.33 0.00 67 L 8.21 3.95 0.00 2.00 1.66 1.08 0.83 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 68 V 7.70 3.58 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 0.99 0.00 0.00 0.98 0.00 0.00 69 L 7.61 3.98 0.00 1.94 1.70 0.91 0.79 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 70 R 7.73 3.91 0.00 1.83 1.94 0.00 3.13 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 1.64 1.68 0.00 71 I 7.92 3.72 2.11 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.74 1.01 0.00 0.00 72 L 7.98 4.07 0.00 1.90 1.74 0.94 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 73 T 7.57 4.03 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 1.22 0.00 0.00 74 V 7.90 3.57 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 1.01 0.00 0.00 0.97 0.00 0.00 75 R 8.40 3.92 0.00 1.91 2.21 0.00 3.17 0.00 0.00 3.11 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 76 E 7.84 3.98 0.00 2.21 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 2.31 2.35 0.00 77 N 8.45 4.30 0.00 2.91 2.85 0.00 0.00 7.00 7.24 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 78 L 7.73 3.91 0.00 1.72 1.76 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.58 4.15 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 80 E 8.23 4.01 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 2.48 2.49 0.00 81 G 8.35 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 0.00 0.00 0.00 82 V 7.58 4.26 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 0.99 0.00 0.00 0.96 0.00 0.00 83 L 8.39 3.94 0.00 1.81 1.73 0.92 0.96 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 84 E 8.38 3.96 0.00 1.99 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 2.23 1.87 0.00 *85 F 7.58 4.34 0.00 2.25 2.23 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 86 L 7.85 4.22 0.00 1.86 1.73 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.24 0.00 2.17 2.10 0.00 3.78 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.08 0.00 88 E 8.12 4.22 0.00 1.99 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.86 0.00 89 M 8.22 4.59 0.00 2.23 2.06 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.43 0.00 90 V 8.35 3.80 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 1.11 0.00 0.00 0.97 0.00 0.00 91 L 7.96 3.87 0.00 1.88 1.72 0.92 0.81 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 92 S 8.17 4.07 0.00 3.92 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 93 Q 8.23 3.97 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 94 I 8.42 3.77 2.04 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 1.38 1.02 0.91 0.00 0.00 95 K 8.29 4.36 0.00 1.76 1.83 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.34 7.81 96 Q 8.27 4.23 0.00 2.04 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 97 S 8.79 4.19 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 98 N 9.20 4.41 0.00 2.94 2.88 0.00 0.00 6.97 7.48 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 99 G 8.71 3.59 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 0.00 0.00 0.00 100 N 8.06 4.28 0.00 2.77 2.85 0.00 0.00 7.16 7.46 0.00 0.00 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 H 8.16 4.32 0.00 3.34 3.30 0.00 5.62 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 0.00 102 R 8.00 3.94 0.00 2.02 1.98 0.00 3.27 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 103 R 8.38 3.95 0.00 1.95 1.98 0.00 3.11 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 104 S 7.98 4.29 0.00 3.86 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 0.00 105 L 8.12 4.06 0.00 1.82 1.70 0.91 0.84 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 0.00 106 L 8.24 4.24 0.00 1.78 1.69 0.92 0.78 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 0.00 107 E 8.24 4.06 0.00 2.01 1.96 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 2.24 2.20 0.00 108 R 7.75 4.24 0.00 1.86 1.88 0.00 3.23 0.00 0.00 3.26 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 109 L 7.38 4.41 0.00 1.81 1.60 0.92 0.87 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 T 7.97 4.30 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 0.00 111 Q 8.10 4.47 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.52 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.