NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 N 4.7283 8.3829 117.8041 52.5652 38.3455 174.6012 12 V 4.0423 8.0592 123.0192 62.4896 31.8879 175.4418 13 K 4.2236 8.4803 126.1959 61.0849 31.9862 183.3006 14 D 4.5435 7.9687 119.9256 56.6434 40.8481 178.8728 15 V 3.1745 7.6628 118.7273 66.0978 31.5294 178.0425 16 T 3.8065 7.6525 108.9785 64.7840 68.3442 176.4747 17 K 3.8822 7.6679 120.3276 58.9461 32.2288 178.8760 18 L 3.8612 7.8975 120.6200 58.1370 41.6976 178.7993 19 V 3.5407 7.5072 117.9758 66.3979 31.1090 177.8559 20 A 4.0915 8.2865 119.3001 54.0442 18.2446 177.4845 21 N 4.6983 7.9700 114.3959 53.1757 39.1285 174.1261 22 L 4.8275 7.1705 115.9913 52.1447 44.1702 174.7347 23 P 4.4466 0.0000 0.0000 62.3366 31.8422 177.8802 24 K 4.0999 8.8495 122.1732 58.7325 32.1143 177.3156 25 D 4.8452 7.9784 115.7719 52.9507 39.7434 175.4204 26 Y 4.4167 7.7356 121.6148 57.2446 40.2070 174.0668 *28 I 3.7153 7.9542 119.9313 61.3533 38.6408 175.3904 29 T 4.8397 8.4239 123.7686 63.0584 69.5683 174.0239 30 L 5.0855 9.3042 127.3597 52.3939 46.1751 174.9361 31 K 4.7900 8.8675 125.0652 55.7497 33.1449 175.3684 32 Y 4.7145 8.3458 126.5808 55.3281 41.3647 175.2830 33 V 3.5301 7.9022 126.5599 61.8312 31.9265 173.7593 34 P 4.1884 0.0000 0.0000 64.1447 31.6552 173.9847 35 G 3.5374 8.7024 114.7263 45.0972 0.0000 172.8771 *37 D 4.5155 8.1037 125.2353 52.4562 41.4214 177.8785 38 V 4.4828 7.6897 115.8508 60.7031 32.7925 175.7106 39 L 4.4782 7.7218 120.5243 52.8401 42.9375 174.6964 40 P 4.4592 0.0000 0.0000 62.8512 31.9780 177.6298 41 S 2.9048 8.3946 115.3997 61.2380 62.5591 176.1043 42 H 4.0195 7.7905 117.2013 58.2119 28.0762 177.4142 43 C 4.3604 7.3698 118.4578 58.3113 38.7301 174.0975 44 W 4.8630 7.4335 114.1865 55.7805 29.8777 177.0392 45 I 3.5494 7.0067 118.6572 63.7809 37.4066 177.0882 46 S 4.3008 7.9892 116.4593 61.5843 62.9671 176.4683 47 E 4.7365 7.7311 118.5771 56.6831 28.7468 178.6815 *49 V 4.1121 7.8542 112.8233 60.9636 34.0061 178.3219 50 V 3.6177 7.5586 118.7084 66.2211 31.4085 178.1237 51 Q 4.0950 8.4465 118.1713 59.0589 28.5316 178.9838 52 L 4.1756 7.9385 119.5821 57.6753 41.7144 179.1725 53 S 4.2210 8.5375 113.5380 61.5275 62.3293 176.0546 54 D 4.3907 8.3460 121.5416 57.5834 40.4475 178.9578 55 S 4.2013 8.3438 115.6761 61.6229 62.6053 176.8233 56 L 4.0339 8.0533 120.8585 57.9909 41.6932 179.2729 57 T 4.0119 8.3441 116.1893 66.6327 68.0979 176.1929 58 D 4.3835 8.2055 120.0602 57.1969 41.1386 178.0521 59 L 4.0706 7.7886 120.5258 57.9676 42.1189 178.7945 60 L 3.9570 7.8387 118.7866 57.7895 41.2997 178.6941 61 D 4.5532 7.8313 116.5988 56.3211 41.1764 176.8220 62 K 4.2258 8.0093 116.6142 56.3123 32.9151 175.8399 63 F 4.9000 7.8995 116.6566 55.4819 42.3531 174.1866 64 S 4.6645 8.5119 116.3761 56.9031 63.6896 173.7462 65 N 3.9773 8.2692 124.1484 55.2455 39.0640 174.9252 66 I 4.0570 7.0685 119.2039 60.6612 36.5538 175.1945 67 S 4.3710 7.9207 116.4728 57.2423 65.0820 174.9307 68 E 4.2216 8.9075 128.7633 56.3365 31.2147 178.8695 69 G 3.6262 8.2734 111.4545 46.0991 0.0000 175.7824 70 L 3.9369 8.6286 127.3513 54.9712 42.4259 176.4607 71 S 4.5964 8.3952 119.2067 55.8933 65.5068 174.0963 72 N 4.0768 8.6445 126.7966 56.2028 38.3019 176.3310 73 Y 3.9362 8.0256 120.8234 61.0475 38.8140 178.5705 74 S 4.2371 8.2222 114.7759 61.3880 63.0056 176.3759 75 I 3.5892 7.6377 123.2647 64.3605 36.9071 178.1999 76 I 3.6134 7.7146 120.5806 64.6273 36.9142 178.0305 77 D 4.2349 7.9722 118.6366 57.2631 41.0490 178.4913 78 K 4.0966 8.1643 118.9129 59.1376 32.0796 179.3247 79 L 4.2300 7.9015 119.6142 57.4362 41.5465 179.4963 80 V 3.7020 8.3957 118.8400 66.0605 31.3312 177.8717 81 N 4.4073 8.2452 116.3245 56.2350 37.9109 177.4781 82 I 3.6976 7.8292 121.2859 64.5149 37.2659 178.7240 83 V 3.4357 7.9223 118.8533 65.9502 31.2150 177.8239 84 D 4.4323 8.3106 118.7816 57.1685 40.5300 178.1781 85 D 4.3860 7.8893 119.5193 57.6842 40.8780 179.0534 86 L 3.8191 7.3202 118.7295 57.3734 41.3624 179.5874 87 V 3.6953 7.6997 117.6955 65.7313 31.7266 177.4935 88 E 4.2025 7.9476 118.3601 58.8457 29.3603 178.0293 89 C 3.9189 7.9354 117.9166 62.8537 31.7085 175.7251 90 V 4.0076 7.8631 120.4929 65.0523 31.0237 176.4375 91 K 4.1369 7.4397 119.7523 53.5597 31.1719 181.2253 *104 S 4.3733 8.2468 120.4235 56.2316 64.0034 172.1520 105 P 4.6066 0.0000 0.0000 62.8080 31.8870 175.8284 106 E 4.3067 8.7656 120.1859 55.5026 30.7848 174.2311 107 P 4.7531 0.0000 0.0000 63.1249 32.1282 175.8430 108 R 4.5983 9.5059 121.7249 54.2402 34.4378 174.2297 109 L 4.6935 8.0793 122.2243 54.1246 42.6348 176.1713 110 F 4.8924 8.6824 121.5689 55.5086 42.9777 175.1892 111 T 4.2640 9.0373 111.5043 60.6269 69.8655 173.8495 112 P 4.4433 0.0000 0.0000 66.0924 31.2941 178.3407 113 E 4.0901 8.3822 117.1592 59.6570 29.6520 178.6243 114 E 4.0498 8.3069 118.3940 59.2706 29.4531 179.1671 115 F 3.5806 8.4963 120.8629 61.1149 39.4053 177.0128 116 F 4.2588 8.6192 116.6861 59.3279 38.7611 177.8577 117 R 3.9439 7.9339 119.3478 59.4866 29.8660 178.4047 118 I 3.5734 7.4280 119.5518 63.9908 36.9689 178.1435 119 F 3.9772 7.9287 121.5667 61.5706 39.3036 177.0852 120 N 4.4437 8.7164 116.1493 56.1280 38.2934 177.5317 121 R 3.9518 8.0792 120.4612 59.5071 29.9846 178.7203 122 S 4.4370 8.1582 114.2564 61.5805 62.9032 176.5292 123 I 3.8862 7.6852 122.6653 64.5334 36.9189 178.2583 124 D 4.4112 8.3305 119.3937 56.8728 40.4392 178.0316 125 A 4.0015 7.7692 119.3383 53.6309 18.2533 178.4920 126 F 4.5754 7.9072 118.5291 59.9438 39.6203 178.5970 127 K 4.2287 7.9811 122.9706 59.4000 32.9350 180.5849 128 D 4.8627 7.7708 119.4072 52.0075 38.1755 175.6266 129 F 4.5388 7.7281 121.4221 57.1451 41.2986 174.6926 130 V 4.5355 8.1143 126.2341 60.3539 34.7231 174.9637 131 V 3.5180 8.4402 123.7033 63.3648 31.6692 177.0380 132 A 3.6039 8.6677 131.9568 55.7377 18.4914 179.5335 133 S 4.2760 7.9213 111.2637 60.6488 62.5834 178.0117 134 E 4.5280 7.6868 116.9648 57.2164 30.9973 176.6303 135 T 4.4875 7.3952 106.6642 61.4711 67.7650 177.6357 136 S 4.7725 8.6892 113.8506 56.0783 67.1124 173.6116 137 D 4.7403 8.3855 120.0239 53.6988 39.7934 177.3233 138 C 5.0212 8.6637 118.2928 57.1555 41.3774 173.5568 139 V 4.4482 7.7234 118.9206 61.2021 32.5482 174.4197 140 V 3.9205 7.8611 124.5222 61.5283 32.9895 175.7937 141 S 4.5083 7.9252 120.9723 58.7100 62.0464 169.0247 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 11 N 8.38 4.73 0.00 2.67 2.82 0.00 0.00 6.90 6.79 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 12 V 8.06 4.04 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 0.72 0.00 0.00 0.93 0.00 0.00 13 K 8.48 4.22 0.00 1.86 1.84 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.35 7.81 14 D 7.97 4.54 0.00 2.65 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 15 V 7.66 3.17 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 0.95 0.00 0.00 0.94 0.00 0.00 16 T 7.65 3.81 4.22 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 1.28 0.00 0.00 17 K 7.67 3.88 0.00 1.84 1.85 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.44 1.62 7.81 18 L 7.90 3.86 0.00 1.56 1.35 0.68 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.51 3.54 2.13 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 1.01 0.00 0.00 0.93 0.00 0.00 20 A 8.29 4.09 1.34 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 0.00 0.00 0.00 21 N 7.97 4.70 0.00 2.78 2.86 0.00 0.00 7.06 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 22 L 7.17 4.83 0.00 1.74 1.70 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.45 0.00 2.28 2.01 0.00 3.71 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 24 K 8.85 4.10 0.00 1.78 1.93 0.00 1.73 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.48 7.81 25 D 7.98 4.85 0.00 2.78 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 26 Y 7.74 4.42 0.00 2.92 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 *28 I 7.95 3.72 1.66 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.21 0.27 0.00 0.00 29 T 8.42 4.84 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 1.24 0.00 0.00 30 L 9.30 5.09 0.00 2.05 1.85 0.99 -0.05 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 31 K 8.87 4.79 0.00 1.92 1.81 0.00 1.97 0.00 0.00 1.82 0.00 0.00 2.73 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.50 7.81 32 Y 8.35 4.71 0.00 3.02 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 33 V 7.90 3.53 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 0.80 0.00 0.00 0.90 0.00 0.00 34 P 0.00 4.19 0.00 2.08 2.05 0.00 3.73 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 2.05 2.16 0.00 35 G 8.70 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.52 0.00 2.84 2.97 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 38 V 7.69 4.48 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 0.75 0.00 0.00 0.93 0.00 0.00 39 L 7.72 4.48 0.00 1.80 1.74 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.46 0.00 2.30 2.22 0.00 3.73 0.00 0.00 3.86 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 41 S 8.39 2.90 0.00 2.85 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.79 4.02 0.00 3.30 3.45 0.00 5.72 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 C 7.37 4.36 0.00 3.11 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 44 W 7.43 4.86 0.00 3.28 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 45 I 7.01 3.55 0.81 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.03 0.52 0.00 0.00 46 S 7.99 4.30 0.00 3.92 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 47 E 7.73 4.74 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 2.33 2.36 0.00 *49 V 7.85 4.11 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 0.90 0.00 0.00 1.17 0.00 0.00 50 V 7.56 3.62 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 1.07 0.00 0.00 1.02 0.00 0.00 51 Q 8.45 4.09 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.72 2.74 0.00 52 L 7.94 4.18 0.00 1.78 1.92 0.89 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.54 4.22 0.00 4.02 4.12 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 54 D 8.35 4.39 0.00 2.88 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 55 S 8.34 4.20 0.00 4.15 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 56 L 8.05 4.03 0.00 1.82 1.77 1.01 0.83 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 57 T 8.34 4.01 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 1.24 0.00 0.00 58 D 8.21 4.38 0.00 2.84 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 59 L 7.79 4.07 0.00 2.06 1.79 1.09 0.86 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 60 L 7.84 3.96 0.00 1.90 1.68 0.76 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 61 D 7.83 4.55 0.00 2.70 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 62 K 8.01 4.23 0.00 1.08 1.32 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.59 7.81 63 F 7.90 4.90 0.00 3.26 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 64 S 8.51 4.66 0.00 3.82 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 65 N 8.27 3.98 0.00 2.28 2.59 0.00 0.00 7.05 7.94 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 66 I 7.07 4.06 1.84 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 1.12 0.91 0.89 0.00 0.00 67 S 7.92 4.37 0.00 3.77 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 68 E 8.91 4.22 0.00 1.94 1.82 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 2.28 2.36 0.00 69 G 8.27 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.63 3.94 0.00 1.57 1.58 0.87 0.72 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 71 S 8.40 4.60 0.00 3.88 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 72 N 8.64 4.08 0.00 2.00 1.85 0.00 0.00 6.73 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 73 Y 8.03 3.94 0.00 3.26 2.98 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 74 S 8.22 4.24 0.00 4.14 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 75 I 7.64 3.59 1.71 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 1.45 0.65 0.81 0.00 0.00 76 I 7.71 3.61 1.70 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.62 0.85 0.00 0.00 77 D 7.97 4.23 0.00 2.60 2.84 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 78 K 8.16 4.10 0.00 1.98 1.85 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.62 7.81 79 L 7.90 4.23 0.00 1.86 1.68 0.69 0.85 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 80 V 8.40 3.70 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 1.08 0.00 0.00 0.96 0.00 0.00 81 N 8.25 4.41 0.00 3.01 2.87 0.00 0.00 7.03 7.39 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 82 I 7.83 3.70 2.17 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 0.92 0.00 0.00 83 V 7.92 3.44 2.32 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 1.14 0.00 0.00 1.41 0.00 0.00 84 D 8.31 4.43 0.00 2.77 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 85 D 7.89 4.39 0.00 2.74 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 86 L 7.32 3.82 0.00 1.70 1.41 0.56 -0.26 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 87 V 7.70 3.70 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 0.87 0.00 0.00 1.01 0.00 0.00 88 E 7.95 4.20 0.00 2.13 1.97 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 2.51 2.45 0.00 89 C 7.94 3.92 0.00 3.10 2.97 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 90 V 7.86 4.01 2.31 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 0.90 0.00 0.00 1.20 0.00 0.00 91 K 7.44 4.14 0.00 1.85 1.62 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.36 1.27 7.81 *104 S 8.25 4.37 0.00 3.89 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 0.00 105 P 0.00 4.61 0.00 2.28 2.09 0.00 3.92 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 2.03 1.99 0.00 106 E 8.77 4.31 0.00 2.06 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 0.00 2.43 2.30 0.00 107 P 0.00 4.75 0.00 2.12 2.15 0.00 3.73 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.02 0.00 108 R 9.51 4.60 0.00 1.62 1.25 0.00 2.96 0.00 0.00 3.01 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.78 0.00 109 L 8.08 4.69 0.00 1.30 1.42 0.83 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 110 F 8.68 4.89 0.00 3.03 2.98 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 T 9.04 4.26 4.43 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 1.31 0.00 0.00 112 P 0.00 4.44 0.00 2.34 2.39 0.00 3.72 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.43 0.00 113 E 8.38 4.09 0.00 2.12 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 2.46 2.48 0.00 114 E 8.31 4.05 0.00 2.43 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 0.00 2.40 2.40 0.00 115 F 8.50 3.58 0.00 3.00 2.97 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 0.00 116 F 8.62 4.26 0.00 3.34 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 0.00 117 R 7.93 3.94 0.00 2.04 2.12 0.00 3.10 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 1.60 1.68 0.00 118 I 7.43 3.57 1.48 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.40 0.64 0.00 0.00 119 F 7.93 3.98 0.00 2.61 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 0.00 120 N 8.72 4.44 0.00 2.87 2.93 0.00 0.00 6.76 8.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 R 8.08 3.95 0.00 2.10 2.03 0.00 2.98 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.65 0.00 122 S 8.16 4.44 0.00 3.93 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 0.00 123 I 7.69 3.89 1.85 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.41 0.85 0.00 0.00 124 D 8.33 4.41 0.00 2.80 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 7.77 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 F 7.91 4.58 0.00 2.93 3.22 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 0.00 127 K 7.98 4.23 0.00 1.89 1.71 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.32 7.81 128 D 7.77 4.86 0.00 2.74 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 0.00 129 F 7.73 4.54 0.00 3.18 2.83 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 0.00 0.00 0.00 130 V 8.11 4.54 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 0.87 0.00 0.00 0.94 0.00 0.00 131 V 8.44 3.52 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 0.90 0.00 0.00 0.90 0.00 0.00 132 A 8.67 3.60 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 0.00 133 S 7.92 4.28 0.00 3.64 3.79 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 0.00 134 E 7.69 4.53 0.00 2.08 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 2.29 2.22 0.00 135 T 7.40 4.49 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 1.29 0.00 0.00 136 S 8.69 4.77 0.00 3.85 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 0.00 137 D 8.39 4.74 0.00 2.78 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 0.00 138 C 8.66 5.02 0.00 2.93 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 0.00 139 V 7.72 4.45 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 0.76 0.00 0.00 1.02 0.00 0.00 140 V 7.86 3.92 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 0.89 0.00 0.00 0.93 0.00 0.00 141 S 7.93 4.51 0.00 3.99 4.14 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 * Residues marked with a * may have inaccurate shift predictions.