NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3862 0.0000 0.0000 61.9477 32.3443 176.0217 3 K 4.0237 8.6022 123.5509 55.1098 32.6612 175.4142 4 K 3.9657 9.6817 126.8304 57.1530 33.9655 175.5879 5 V 4.7356 8.2757 125.3036 61.3099 33.3118 174.6649 6 L 4.6274 8.5491 128.5275 53.7442 44.2461 175.8941 7 T 4.7452 7.4844 109.5654 60.6343 71.3266 173.4259 8 G 4.0393 8.3078 113.0773 45.6633 0.0000 171.1987 9 V 5.0417 8.3935 113.1600 59.3064 35.5495 175.5161 10 V 4.2362 8.1787 124.4631 63.0660 32.0424 176.5265 11 V 4.5088 8.8382 120.2029 61.1528 32.7881 175.1259 12 S 4.7798 7.5352 114.7746 56.6907 66.3496 172.8586 13 D 5.0159 8.1581 122.0761 53.2388 40.3738 177.5403 14 K 4.0853 8.3248 121.1337 59.7549 32.2443 177.2431 15 M 4.3762 7.7863 117.4522 54.8965 33.1430 175.0774 16 Q 4.3449 8.4580 118.6625 55.8622 29.9634 176.6121 17 K 4.5954 9.0122 119.5062 56.7344 29.9678 174.5446 18 T 5.2144 7.5602 112.8624 62.0673 72.6639 173.8829 19 V 4.6334 8.4087 117.3365 59.9161 36.2930 174.8515 20 T 4.6300 8.2638 120.4334 62.6689 69.7675 173.8178 21 V 4.6508 8.5299 127.5650 61.1319 33.7073 174.0589 22 L 4.9563 8.9826 130.4640 53.4852 44.1081 175.0555 23 V 4.6058 8.7886 125.7981 61.4517 34.6833 175.3139 24 E 5.0981 8.7904 126.9815 56.0633 31.5488 175.1851 25 R 4.7177 7.4116 115.3816 56.8298 31.2683 173.2811 26 Q 5.0215 8.6947 120.1425 54.5292 32.1353 174.5599 27 F 4.9793 8.1235 115.0350 55.2709 41.7440 171.4437 28 P 4.9488 0.0000 0.0000 62.4898 32.0918 175.8741 29 H 4.4351 9.4975 125.9909 55.5923 30.1807 174.3495 30 P 4.3768 0.0000 0.0000 65.0494 31.0764 176.5625 31 L 4.3930 8.1403 118.2161 55.1739 43.8603 176.0603 32 Y 4.6092 7.9957 113.2126 57.0407 39.3262 175.7057 33 G 4.3769 8.5791 111.4843 45.2983 0.0000 174.2197 34 K 3.7894 7.8336 119.3946 56.4908 33.3282 176.2813 35 V 4.5142 8.4653 120.6595 60.8593 31.5240 175.5622 36 I 4.2308 8.2467 120.0238 59.2901 40.3360 174.6292 37 K 4.8266 7.7124 123.5814 53.9369 34.5929 174.7340 38 R 4.6517 7.6852 119.5694 55.9025 32.8936 172.8657 39 S 5.0153 8.8376 118.2817 56.6136 66.5789 172.9080 40 K 4.5820 9.0500 121.5619 54.7070 35.8037 174.7566 41 K 4.9645 8.4294 125.3519 54.9974 34.0222 175.1951 42 Y 4.6390 8.9490 122.2164 56.1086 41.6024 175.1986 43 L 4.8330 8.5885 122.5680 53.6721 42.6512 175.8092 44 A 5.4727 8.5319 126.1109 50.9171 20.9493 175.1541 45 H 4.9480 8.6457 119.2188 55.0473 32.3541 173.8349 46 D 4.5543 8.9169 125.2127 52.2626 42.7365 173.7912 47 P 4.2511 0.0000 0.0000 65.3074 31.6409 177.5793 48 E 4.3218 8.1476 116.8870 60.6160 30.4578 177.4610 49 E 3.8152 7.1641 114.7452 58.0601 26.1293 176.6401 50 K 4.3758 8.1240 116.4896 56.4327 33.5256 175.7338 51 Y 4.5136 8.2476 117.6029 56.3831 39.9978 175.7087 52 K 4.4896 8.3965 124.5473 54.8496 35.2281 175.0113 53 L 4.1259 8.2566 120.9327 56.2216 42.6441 176.9590 54 G 3.8835 9.1550 115.0449 46.3508 0.0000 172.1370 55 D 5.1853 8.0048 118.6535 51.9033 44.3544 175.8282 56 V 4.1362 8.6690 124.7294 62.9695 32.1199 174.6117 57 V 4.7691 8.6726 125.0938 60.2849 35.6204 173.9156 58 E 4.9317 8.2493 120.5798 55.8733 33.8338 174.7367 59 I 4.7839 8.7789 125.6783 59.6755 39.8265 174.5582 60 I 5.1940 8.4385 125.7178 58.7091 41.2072 174.1647 61 E 3.1207 8.8647 129.9226 57.2150 30.0729 175.9165 62 S 4.5251 7.5325 120.1485 57.2299 67.8590 173.6830 63 R 3.9202 8.3263 121.0480 55.2301 30.3391 173.7467 64 P 4.1575 0.0000 0.0000 63.5065 31.3952 176.0078 65 I 4.0021 8.1319 124.5130 62.6848 37.8026 175.6396 66 S 4.4995 7.3006 112.1324 57.2557 65.7113 175.6423 67 K 3.9123 8.6325 121.5475 57.8822 32.3756 176.5786 68 R 4.2117 8.7947 127.7698 57.5644 29.3132 177.4270 69 K 4.6300 7.3065 115.6097 56.0264 32.7376 177.7307 70 R 4.7891 8.6712 118.3150 55.9676 35.4996 174.3650 71 F 5.7716 8.3982 117.7748 54.7595 42.6972 174.4381 72 R 4.9522 8.4255 120.5568 54.2406 33.3148 175.7368 73 V 3.6209 8.0304 122.0522 63.0148 31.0799 175.7887 74 L 4.2342 9.2728 131.8782 56.7485 41.6434 176.8503 75 R 4.6416 7.4246 112.3178 55.3317 32.6298 172.2370 76 L 4.1550 8.6529 122.2734 54.9449 42.4523 175.3997 77 V 4.0535 9.2099 128.6859 63.1760 31.0938 174.9231 78 E 4.8059 7.9827 116.2010 54.5056 33.3205 174.6862 79 S 4.7558 8.8511 116.6514 57.9309 63.9260 172.1501 80 G 3.7924 9.9673 117.3802 46.4091 0.0000 174.5371 81 R 4.9965 7.7084 130.1509 53.5939 31.4947 177.2882 82 M 4.3713 8.3323 119.3772 58.2040 31.8955 177.7679 83 D 4.3942 8.1225 119.0087 56.0067 39.5194 178.2375 84 L 4.2086 8.3146 120.7967 57.2039 41.9566 179.0887 85 V 3.7291 7.7079 117.6890 65.9573 31.3088 177.9148 86 E 3.9504 8.4276 118.4310 59.3804 29.1703 179.0317 87 K 3.7237 7.4298 115.8249 60.6507 32.4697 177.6166 88 Y 4.2476 8.8251 120.1891 58.2090 38.4448 178.0389 89 L 3.5292 8.5387 119.3535 57.6397 42.3478 179.7836 90 I 3.6118 8.4692 120.9353 64.2557 36.8800 178.3470 91 R 3.7962 8.0884 118.0607 58.2551 29.7517 177.5790 92 R 3.2297 7.1141 117.4342 58.0824 30.4550 177.6936 93 Q 3.7696 7.5373 119.6377 59.0106 28.9573 177.5613 94 N 4.1613 7.8800 117.0710 57.5310 38.6374 177.5803 95 Y 4.3926 6.8580 117.2179 61.1820 38.1072 178.6224 96 E 4.0478 7.9981 118.9106 58.9852 29.6265 177.8540 97 S 4.8349 8.7307 113.2873 58.2992 63.4047 174.5599 98 L 4.6909 7.8086 119.3169 55.2503 43.1866 177.3891 99 S 4.5575 7.7553 113.1645 58.3316 65.5023 174.2053 100 K 4.4600 8.1219 116.0466 56.8176 33.8433 176.6635 *101 R 4.1415 7.7522 120.3846 56.3684 30.0213 176.9838 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 2 P 0.00 4.39 0.00 2.19 2.15 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 3 K 8.60 4.02 0.00 1.73 1.75 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.47 7.81 4 K 9.68 3.97 0.00 2.03 1.90 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.46 7.81 5 V 8.28 4.74 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 0.86 0.00 0.00 0.99 0.00 0.00 6 L 8.55 4.63 0.00 1.31 1.33 -0.20 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.48 4.75 4.36 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 1.21 0.00 0.00 8 G 8.31 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 0.00 0.00 0.00 9 V 8.39 5.04 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 0.75 0.00 0.00 0.95 0.00 0.00 10 V 8.18 4.24 2.25 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 1.01 0.00 0.00 1.00 0.00 0.00 11 V 8.84 4.51 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 0.50 0.00 0.00 0.64 0.00 0.00 12 S 7.54 4.78 0.00 3.88 3.65 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 13 D 8.16 5.02 0.00 2.81 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 14 K 8.32 4.09 0.00 1.80 1.94 0.00 1.78 0.00 0.00 1.73 0.00 0.00 2.88 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.49 7.81 15 M 7.79 4.38 0.00 2.03 2.05 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.58 0.00 16 Q 8.46 4.34 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.29 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 17 K 9.01 4.60 0.00 2.04 2.00 0.00 1.93 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.59 1.44 7.81 18 T 7.56 5.21 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 1.33 0.00 0.00 19 V 8.41 4.63 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 1.00 0.00 0.00 0.90 0.00 0.00 20 T 8.26 4.63 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 1.17 0.00 0.00 21 V 8.53 4.65 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 0.99 0.00 0.00 0.87 0.00 0.00 22 L 8.98 4.96 0.00 1.51 1.35 0.87 0.60 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 23 V 8.79 4.61 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 1.01 0.00 0.00 0.91 0.00 0.00 24 E 8.79 5.10 0.00 2.01 1.93 0.00 0.00 0.00 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 2.25 0.00 25 R 7.41 4.72 0.00 1.99 2.08 0.00 3.15 0.00 0.00 3.42 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.63 0.00 26 Q 8.69 5.02 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.75 0.00 0.00 0.00 0.00 0.00 2.22 2.32 0.00 27 F 8.12 4.98 0.00 3.12 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 28 P 0.00 4.95 0.00 2.05 2.09 0.00 3.86 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 2.09 2.14 0.00 29 H 9.50 4.44 0.00 3.25 3.38 0.00 5.61 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 30 P 0.00 4.38 0.00 2.18 2.17 0.00 3.43 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 31 L 8.14 4.39 0.00 1.38 1.36 0.70 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.00 4.61 0.00 2.87 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.58 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 0.00 0.00 0.00 0.00 34 K 7.83 3.79 0.00 1.87 1.77 0.00 1.69 0.00 0.00 1.79 0.00 0.00 2.83 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.51 7.81 35 V 8.47 4.51 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 0.77 0.00 0.00 0.92 0.00 0.00 36 I 8.25 4.23 1.69 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 0.41 0.03 0.88 0.00 0.00 37 K 7.71 4.83 0.00 1.71 1.71 0.00 1.66 0.00 0.00 1.91 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.21 7.81 38 R 7.69 4.65 0.00 2.05 1.90 0.00 3.43 0.00 0.00 3.49 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 39 S 8.84 5.02 0.00 3.94 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 40 K 9.05 4.58 0.00 1.74 1.63 0.00 1.46 0.00 0.00 1.50 0.00 0.00 2.13 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.31 1.05 7.81 41 K 8.43 4.96 0.00 1.56 1.62 0.00 1.62 0.00 0.00 1.53 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.17 1.36 7.81 42 Y 8.95 4.64 0.00 2.69 2.68 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 43 L 8.59 4.83 0.00 1.66 1.68 0.95 0.71 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 44 A 8.53 5.47 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 H 8.65 4.95 0.00 3.27 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.92 4.55 0.00 2.76 2.52 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 0.00 0.00 0.00 0.00 47 P 0.00 4.25 0.00 2.22 2.16 0.00 3.77 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 48 E 8.15 4.32 0.00 1.95 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 2.26 2.39 0.00 49 E 7.16 3.82 0.00 2.05 2.30 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 2.32 2.28 0.00 50 K 8.12 4.38 0.00 1.66 1.96 0.00 1.28 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.03 0.49 7.81 51 Y 8.25 4.51 0.00 3.11 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 52 K 8.40 4.49 0.00 1.87 1.86 0.00 1.73 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.36 7.81 53 L 8.26 4.13 0.00 1.66 1.64 0.95 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.16 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 55 D 8.00 5.19 0.00 2.73 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 56 V 8.67 4.14 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 0.90 0.00 0.00 0.94 0.00 0.00 57 V 8.67 4.77 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 0.89 0.00 0.00 0.81 0.00 0.00 58 E 8.25 4.93 0.00 1.83 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 0.00 2.19 2.26 0.00 59 I 8.78 4.78 1.58 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 1.07 0.54 0.00 0.00 60 I 8.44 5.19 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 1.11 1.51 0.99 0.00 0.00 61 E 8.86 3.12 0.00 2.02 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 0.00 2.11 1.90 0.00 62 S 7.53 4.53 0.00 3.83 3.65 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 63 R 8.33 3.92 0.00 1.72 1.78 0.00 3.40 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 64 P 0.00 4.16 0.00 2.05 2.01 0.00 3.67 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 2.00 2.09 0.00 65 I 8.13 4.00 1.82 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 1.38 0.69 0.69 0.00 0.00 66 S 7.30 4.50 0.00 4.03 3.92 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 K 8.63 3.91 0.00 1.74 1.78 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.84 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.49 7.81 68 R 8.79 4.21 0.00 2.03 2.08 0.00 3.27 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 69 K 7.31 4.63 0.00 1.97 1.77 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.51 1.40 7.81 70 R 8.67 4.79 0.00 1.91 1.65 0.00 3.13 0.00 0.00 3.39 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 71 F 8.40 5.77 0.00 2.86 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 72 R 8.43 4.95 0.00 1.76 1.83 0.00 3.16 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 73 V 8.03 3.62 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 -0.48 0.00 0.00 0.65 0.00 0.00 74 L 9.27 4.23 0.00 1.69 1.71 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 75 R 7.42 4.64 0.00 1.93 2.00 0.00 3.03 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 76 L 8.65 4.15 0.00 2.00 1.75 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 77 V 9.21 4.05 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 0.83 0.00 0.00 0.93 0.00 0.00 78 E 7.98 4.81 0.00 2.04 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 2.25 2.27 0.00 79 S 8.85 4.76 0.00 3.86 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 80 G 9.97 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 0.00 0.00 0.00 81 R 7.71 5.00 0.00 1.81 1.96 0.00 3.60 0.00 0.00 3.64 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 82 M 8.33 4.37 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.57 0.00 83 D 8.12 4.39 0.00 2.87 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 84 L 8.31 4.21 0.00 1.77 1.75 0.92 0.78 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 85 V 7.71 3.73 2.25 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 1.21 0.00 0.00 1.01 0.00 0.00 86 E 8.43 3.95 0.00 2.04 1.98 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 2.49 2.50 0.00 87 K 7.43 3.72 0.00 2.00 1.93 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.67 7.81 88 Y 8.83 4.25 0.00 3.04 3.01 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 0.00 0.00 0.00 89 L 8.54 3.53 0.00 1.80 1.62 0.95 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.47 3.61 1.90 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 1.55 1.16 0.84 0.00 0.00 91 R 8.09 3.80 0.00 1.78 1.83 0.00 3.25 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 92 R 7.11 3.23 0.00 1.32 1.65 0.00 3.01 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 93 Q 7.54 3.77 0.00 2.27 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.48 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 94 N 7.88 4.16 0.00 2.56 2.81 0.00 0.00 7.07 7.70 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 95 Y 6.86 4.39 0.00 2.95 2.85 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 0.00 0.00 0.00 96 E 8.00 4.05 0.00 2.12 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 2.37 2.31 0.00 97 S 8.73 4.83 0.00 3.89 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 98 L 7.81 4.69 0.00 1.67 1.71 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.76 4.56 0.00 3.98 3.92 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 0.00 100 K 8.12 4.46 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.42 7.81 *101 R 7.75 4.14 0.00 1.57 1.74 0.00 3.23 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.69 0.00 * Residues marked with a * may have inaccurate shift predictions.