NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 S 4.6404 8.3344 115.5581 58.2040 63.9112 172.7509 17 L 4.6069 8.4611 128.3129 51.5169 45.4643 173.5485 18 I 4.3097 8.8263 120.7318 61.1303 38.7690 174.4650 19 W 5.1010 9.5979 134.6043 55.8806 34.6922 173.7418 20 G 4.0702 6.6357 107.4594 45.6421 0.0000 172.2713 21 C 4.2742 6.8816 114.6515 56.2521 33.2299 171.9703 22 E 5.0172 8.3782 120.3423 54.3889 31.7377 174.8472 23 L 5.1577 8.7012 126.3834 53.2850 45.2903 175.2184 24 N 4.9512 8.6765 118.7964 51.9444 40.2329 173.7109 25 E 4.0901 9.2038 122.9219 60.4424 29.1882 179.2385 26 Q 4.2814 8.3092 115.3621 56.9473 29.0374 177.5499 27 N 5.1146 8.5674 113.8355 51.7606 39.2907 174.8596 28 K 4.3749 8.1572 120.1889 58.3919 33.5778 176.8350 29 T 5.3461 7.8763 115.4789 61.7502 72.3883 173.2641 30 F 4.8158 9.2986 126.0847 56.7745 43.2245 172.5031 31 E 5.1021 8.0939 126.5293 54.3906 32.0239 174.7829 32 F 5.0074 9.8863 132.4173 57.6753 40.6570 175.3090 33 K 4.2295 8.3795 133.2228 53.6637 32.7265 173.3681 *42 E 4.3396 8.5109 125.0610 55.3610 30.6083 172.8303 43 H 4.7059 8.7893 115.5988 57.5309 30.0143 174.4094 44 Q 4.8164 8.3932 121.7755 55.0309 32.8012 172.4733 45 L 4.7042 9.3023 128.9173 53.2542 44.2055 174.5777 46 A 5.0393 8.6012 129.2925 50.2169 20.7168 176.0126 47 L 4.5275 8.5876 123.3892 55.3661 42.4035 176.4897 48 R 4.6514 9.2410 119.6331 57.6091 32.8911 175.7387 49 T 5.1822 8.0385 107.2257 60.2611 72.9931 172.3961 50 V 5.0346 8.7284 122.0761 61.3720 34.8403 174.0309 51 C 5.2247 9.0361 121.1655 57.0169 33.2545 173.0927 52 L 4.7294 8.4781 120.7951 53.6607 42.9468 177.0215 53 G 4.1120 8.6010 109.4269 45.8785 0.0000 174.6935 54 D 4.5833 8.9024 120.3326 55.1577 39.6833 177.1920 55 K 4.3345 7.8458 117.3890 55.8837 32.5755 176.3301 56 A 4.6515 7.4442 122.5001 50.9496 18.8204 177.8692 57 K 3.9118 8.1601 123.0746 56.9797 32.9756 177.6399 58 D 4.8317 8.3731 126.5869 53.5110 38.6051 173.6659 59 E 4.5974 7.6307 119.9965 54.1761 34.3443 175.3342 60 F 4.7018 8.5442 118.7371 57.9338 39.8264 174.8692 61 H 5.1331 9.9222 120.6572 54.0611 32.0109 172.9720 62 I 5.2636 8.8107 123.2281 59.4737 40.8185 174.5792 63 V 5.0484 8.6296 127.0036 59.8659 33.9299 174.6675 64 E 5.2448 9.3133 121.3022 54.7253 33.5616 174.2235 65 I 4.8051 8.5590 121.8586 59.9612 39.7458 174.8019 66 V 4.8999 8.8458 126.8546 61.5468 33.3520 176.2398 67 T 4.3439 9.3728 115.5619 61.6797 71.3894 174.0441 *74 K 4.1884 7.8645 122.9487 56.0134 33.5787 174.4715 75 S 5.2582 8.7283 121.4188 56.5316 65.5898 173.6878 76 V 4.3149 9.0740 123.2700 60.2352 33.8101 172.7549 77 P 4.8919 0.0000 0.0000 63.0022 31.2877 176.4684 78 I 4.6394 8.6635 115.9561 60.6128 39.4985 175.3822 79 A 4.6569 7.6618 123.0958 51.2864 22.5996 175.2253 80 T 4.9385 8.6225 117.6221 61.9593 71.4292 173.3186 81 L 5.0951 9.1164 126.1938 53.0895 46.4434 175.8652 82 K 4.5615 8.9115 119.7629 56.2744 35.4485 174.1174 83 P 4.1454 0.0000 0.0000 65.8907 31.2653 177.4271 84 S 4.4330 7.8289 108.4870 59.0229 63.6226 173.9506 85 I 4.2365 7.4925 119.4549 62.4952 39.1318 176.3465 86 L 4.4194 8.2904 127.7483 53.2403 42.8741 173.9548 87 P 4.3880 0.0000 0.0000 64.6452 31.7683 175.8119 88 M 5.1764 7.5270 114.3965 54.8365 34.1772 173.5344 89 A 4.7181 9.1031 120.0336 50.9264 23.2502 175.3329 90 T 4.7660 8.4568 117.9045 62.6889 69.7097 174.3421 91 M 4.4948 9.0873 127.4671 54.3146 33.2084 176.2524 92 V 4.2716 7.9339 121.8105 62.1048 34.5917 175.5678 93 G 3.9685 8.8566 113.5708 46.4839 0.0000 173.2748 94 I 4.2908 7.1459 121.7729 59.7297 38.0896 174.3339 95 E 5.1332 8.6716 126.5574 54.3399 31.9210 175.7249 96 L 4.8562 9.1402 124.3603 53.1966 45.4665 175.5364 97 T 4.9374 8.3517 119.0066 61.1964 69.5868 173.0840 98 P 4.5565 0.0000 0.0000 62.3751 31.9856 174.1549 99 P 4.8204 0.0000 0.0000 62.6087 32.9365 175.7001 100 V 4.4481 8.7373 114.1070 60.1574 36.3972 174.1326 101 T 4.9452 8.0410 120.2745 61.8041 71.3840 173.1568 102 F 5.3757 9.4587 125.2105 55.8551 41.4227 174.6697 103 R 5.1247 9.2905 124.3682 54.5054 33.1546 174.5397 104 L 4.6528 9.1054 129.3228 53.9082 40.6252 175.7950 105 K 4.2500 9.0205 127.5308 58.9855 33.0095 176.3558 106 A 4.5908 8.0501 119.1546 51.4540 22.6566 176.5372 107 G 3.8793 8.8992 106.6104 45.3555 0.0000 174.3482 108 S 4.0696 8.7118 116.0685 58.8445 63.9303 175.5975 109 G 3.7290 8.2902 108.9689 43.3395 0.0000 170.0905 110 P 4.6599 0.0000 0.0000 62.5904 32.8211 175.0860 111 L 4.7154 8.6035 124.0344 53.4816 45.0081 174.5597 112 Y 5.2103 8.9069 123.9419 56.4463 40.8542 174.6839 113 I 5.0436 8.4159 123.4127 59.4834 40.5542 174.8058 114 S 5.0978 8.8153 121.7918 56.9006 66.3711 173.2072 115 G 4.4782 8.5012 107.0936 46.4387 0.0000 171.7658 116 Q 5.0357 9.1010 121.3782 54.9804 31.7144 176.0340 *117 H 4.8037 9.7272 126.9844 54.7410 28.5760 173.0222 118 V 4.0153 8.5732 123.6997 60.7562 31.2121 173.8174 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 16 S 8.33 4.64 0.00 3.91 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 17 L 8.46 4.61 0.00 1.82 1.64 0.97 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.83 4.31 1.90 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 1.25 0.72 0.93 0.00 0.00 19 W 9.60 5.10 0.00 3.34 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 20 G 6.64 4.07 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 0.00 21 C 6.88 4.27 0.00 1.49 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 22 E 8.38 5.02 0.00 2.09 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 2.09 2.01 0.00 23 L 8.70 5.16 0.00 1.53 1.53 1.03 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.68 4.95 0.00 2.76 2.71 0.00 0.00 6.87 7.69 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 25 E 9.20 4.09 0.00 2.14 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 2.33 2.29 0.00 26 Q 8.31 4.28 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 7.04 0.00 0.00 0.00 0.00 0.00 2.28 1.95 0.00 27 N 8.57 5.11 0.00 2.79 2.79 0.00 0.00 6.85 6.53 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 28 K 8.16 4.37 0.00 1.75 1.90 0.00 1.62 0.00 0.00 1.84 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.64 1.60 7.81 29 T 7.88 5.35 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 1.28 0.00 0.00 30 F 9.30 4.82 0.00 3.31 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 31 E 8.09 5.10 0.00 1.92 1.62 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 2.11 2.33 0.00 32 F 9.89 5.01 0.00 3.45 3.20 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 0.00 33 K 8.38 4.23 0.00 1.55 1.59 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.25 0.97 7.81 *42 E 8.51 4.34 0.00 2.01 1.68 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 2.13 1.91 0.00 43 H 8.79 4.71 0.00 3.12 3.41 0.00 5.88 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 44 Q 8.39 4.82 0.00 2.12 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 45 L 9.30 4.70 0.00 0.88 1.01 -1.04 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.60 5.04 1.21 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 47 L 8.59 4.53 0.00 1.56 1.62 1.02 0.62 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 48 R 9.24 4.65 0.00 1.69 1.91 0.00 3.27 0.00 0.00 3.22 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.69 0.00 49 T 8.04 5.18 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 V 8.73 5.03 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 1.07 0.00 0.00 0.92 0.00 0.00 51 C 9.04 5.22 0.00 3.04 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 52 L 8.48 4.73 0.00 1.49 1.48 0.78 0.54 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 53 G 8.60 4.11 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 0.00 0.00 0.00 54 D 8.90 4.58 0.00 2.80 2.82 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 55 K 7.85 4.33 0.00 1.76 1.87 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.36 7.81 56 A 7.44 4.65 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 57 K 8.16 3.91 0.00 1.77 1.85 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.38 7.81 58 D 8.37 4.83 0.00 2.69 2.54 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 59 E 7.63 4.60 0.00 1.99 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 2.32 2.25 0.00 60 F 8.54 4.70 0.00 3.00 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 61 H 9.92 5.13 0.00 3.07 3.20 0.00 5.75 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 8.81 5.26 1.91 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 1.32 0.78 1.00 0.00 0.00 63 V 8.63 5.05 2.14 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 0.88 0.00 0.00 1.08 0.00 0.00 64 E 9.31 5.24 0.00 2.05 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 2.44 2.31 0.00 65 I 8.56 4.81 1.89 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.10 0.78 0.00 0.00 66 V 8.85 4.90 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 0.99 0.00 0.00 0.95 0.00 0.00 67 T 9.37 4.34 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 1.17 0.00 0.00 *74 K 7.86 4.19 0.00 1.88 1.76 0.00 1.66 0.00 0.00 1.87 0.00 0.00 2.89 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.45 7.81 75 S 8.73 5.26 0.00 4.03 3.81 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 76 V 9.07 4.31 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 0.94 0.00 0.00 77 P 0.00 4.89 0.00 1.99 2.00 0.00 3.68 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 78 I 8.66 4.64 1.93 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 1.39 0.75 1.02 0.00 0.00 79 A 7.66 4.66 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 80 T 8.62 4.94 4.27 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 1.26 0.00 0.00 81 L 9.12 5.10 0.00 1.53 1.66 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.91 4.56 0.00 1.49 1.44 0.00 0.61 0.00 0.00 0.98 0.00 0.00 2.67 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.08 0.99 7.81 83 P 0.00 4.15 0.00 2.16 2.09 0.00 3.62 0.00 0.00 3.62 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 84 S 7.83 4.43 0.00 3.92 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 85 I 7.49 4.24 1.88 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 1.16 0.87 0.98 0.00 0.00 86 L 8.29 4.42 0.00 1.62 1.54 0.98 1.06 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 87 P 0.00 4.39 0.00 2.25 2.27 0.00 3.78 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 2.07 1.94 0.00 88 M 7.53 5.18 0.00 2.01 2.16 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 2.48 2.54 0.00 89 A 9.10 4.72 1.22 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 0.00 0.00 90 T 8.46 4.77 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 1.27 0.00 0.00 91 M 9.09 4.49 0.00 1.87 1.90 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 92 V 7.93 4.27 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 1.02 0.00 0.00 0.94 0.00 0.00 93 G 8.86 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 0.00 0.00 0.00 94 I 7.15 4.29 1.89 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 1.25 0.85 0.96 0.00 0.00 95 E 8.67 5.13 0.00 1.81 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 2.18 2.27 0.00 96 L 9.14 4.86 0.00 1.50 1.53 1.02 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.35 4.94 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 98 P 0.00 4.56 0.00 1.63 1.07 0.00 3.96 0.00 0.00 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.80 0.00 99 P 0.00 4.82 0.00 2.01 1.95 0.00 3.66 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.91 0.00 100 V 8.74 4.45 1.67 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 0.63 0.00 0.00 1.13 0.00 0.00 101 T 8.04 4.95 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 1.30 0.00 0.00 102 F 9.46 5.38 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 0.00 103 R 9.29 5.12 0.00 1.88 1.79 0.00 3.11 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 104 L 9.11 4.65 0.00 1.68 1.63 1.03 0.75 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 0.00 105 K 9.02 4.25 0.00 1.84 1.95 0.00 1.97 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.43 7.81 106 A 8.05 4.59 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 0.00 107 G 8.90 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 0.00 0.00 0.00 108 S 8.71 4.07 0.00 4.03 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 0.00 109 G 8.29 3.73 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 0.00 0.00 0.00 110 P 0.00 4.66 0.00 1.43 2.23 0.00 3.56 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 1.87 1.90 0.00 111 L 8.60 4.72 0.00 1.58 1.41 0.93 0.71 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 0.00 112 Y 8.91 5.21 0.00 2.89 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 8.42 5.04 1.53 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.67 0.77 0.00 0.00 114 S 8.82 5.10 0.00 3.80 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 0.00 115 G 8.50 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 0.00 0.00 0.00 0.00 116 Q 9.10 5.04 0.00 1.92 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.84 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 *117 H 9.73 4.80 0.00 2.55 2.99 0.00 7.19 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.57 4.02 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 0.81 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.