NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 F 4.7377 8.1827 122.8261 58.3027 41.8195 176.6116 8 S 3.9700 8.3634 114.7901 61.0669 62.1168 174.5982 9 A 3.9953 8.1404 123.2231 54.8922 18.5647 178.7663 10 L 3.8017 7.6453 118.4202 57.8761 42.2686 178.5868 11 W 4.1775 8.2929 128.8786 60.8847 30.4981 177.9540 12 Q 3.8362 8.0965 117.6208 58.9585 27.8334 179.2121 13 R 3.7859 7.5772 118.4985 58.9879 30.2014 178.7253 14 L 3.9065 7.6431 119.0024 57.5767 41.5522 179.4372 15 L 3.8151 7.5047 118.9534 57.6573 41.3729 179.2765 16 T 3.7549 7.7172 114.5722 65.6032 68.3821 175.9237 17 R 3.8258 6.9906 119.0627 56.5112 30.2787 177.3864 18 G 3.9424 8.3516 107.8470 44.4355 0.0000 174.0006 19 W 4.6792 7.5671 119.4665 57.3347 29.7153 175.6822 20 Q 4.4693 8.6751 123.1477 54.5270 29.8604 173.7505 21 P 5.1718 0.0000 0.0000 62.7484 32.4987 176.2317 22 V 4.4883 8.6393 115.9318 60.0025 34.9233 175.9706 23 E 4.4152 8.7159 124.7655 55.2538 31.3946 177.7491 24 A 4.5404 8.4611 122.2352 51.9490 17.4363 178.4745 25 S 4.3440 9.0975 117.4874 59.4976 66.7139 174.8980 *34 V 4.0690 8.4251 119.1977 61.5790 34.1369 175.1143 35 G 3.9121 7.7191 105.3184 44.4048 0.0000 173.8057 36 D 4.9830 8.7716 125.4956 53.5509 42.0228 175.8353 37 G 4.6153 8.6755 109.9376 45.4801 0.0000 171.2639 38 V 5.1622 9.0426 119.5743 59.7504 35.1228 174.5060 39 I 4.9013 8.8474 123.7319 59.6251 39.9303 174.3480 40 L 4.9589 8.6511 127.4322 53.3488 43.6590 175.3983 41 L 4.8068 8.8239 124.3939 53.2058 43.9029 175.8841 42 S 5.1182 8.7683 119.1823 56.7906 65.7970 173.3456 43 S 4.4453 8.3425 116.0018 55.7019 65.3211 172.9389 44 D 4.1597 8.4936 122.3517 54.2347 40.9362 175.6827 45 P 4.3854 0.0000 0.0000 65.6983 31.6467 178.3340 46 R 4.4729 7.6922 117.9835 55.3684 28.9268 176.7286 47 R 4.6780 9.4145 125.4583 57.1923 33.2307 174.4221 *52 S 4.4938 8.0715 110.4098 58.2521 63.8779 173.2788 53 D 4.8922 7.9584 116.9864 54.3985 41.7652 176.6149 54 N 4.5036 8.2284 118.1182 56.1396 39.5061 174.0803 55 P 4.6456 0.0000 0.0000 66.0380 31.7528 179.3735 56 V 3.7475 7.9465 108.0973 62.7207 31.8398 178.1514 *58 I 3.9941 7.9528 121.7158 61.4846 39.0423 177.5523 59 A 4.1392 8.7194 122.2101 55.6393 17.8133 179.3706 60 E 3.9670 8.2796 116.3480 59.2178 30.0204 178.6591 61 L 4.4215 8.0168 118.5832 58.0283 41.7824 179.1319 62 L 3.6818 7.9285 118.7756 57.9540 41.3508 179.5632 63 R 4.1010 7.7351 116.7589 59.5217 30.0735 177.5388 64 E 4.5067 8.1920 115.0228 56.3527 31.2662 177.2021 65 F 5.4558 8.5734 118.0252 54.3496 39.3745 173.7999 66 P 4.6083 0.0000 0.0000 64.2153 32.1403 178.0371 67 Q 3.9266 7.8497 117.8827 58.8466 28.7999 176.9962 68 F 4.4650 7.6873 115.1282 56.7006 40.5952 176.0605 69 D 4.7702 8.1154 123.8913 52.1040 39.6361 176.1415 70 W 4.7459 7.7471 119.4081 57.7360 30.3994 177.0854 71 Q 4.9089 9.1344 121.6082 54.2311 32.0607 174.6588 72 V 4.7083 8.1490 119.2617 61.1091 34.9840 174.0324 73 A 5.2000 8.5860 127.7586 50.3729 22.9341 174.8956 74 V 5.0598 8.9454 118.2749 61.1110 35.7013 174.1123 75 A 5.3087 8.5165 126.9400 49.6777 21.4715 177.1719 76 D 3.9634 8.3545 122.0186 52.6219 41.4694 176.9161 77 L 3.5010 7.6130 118.3239 58.1285 41.6584 179.1730 78 E 3.9646 7.9327 117.7108 59.5274 29.6781 179.1425 79 Q 4.0747 7.8005 116.0165 58.1821 28.5119 178.7366 80 S 4.2996 7.3831 115.6754 60.6248 63.1355 175.7158 81 E 4.0491 8.0543 121.6769 59.3045 29.4177 178.2057 82 A 4.2982 7.9689 120.0761 54.7529 19.2106 178.0988 83 I 4.3181 7.8697 122.5019 60.3946 35.1550 175.1067 84 G 4.2796 8.1946 120.7095 46.5960 0.0000 173.0344 85 D 4.3580 7.6767 120.1148 56.9379 41.0745 178.9766 86 R 3.7157 7.9313 117.3333 59.0703 29.9546 176.7105 87 F 4.7407 8.0846 112.9057 56.4280 39.3222 174.8661 88 N 4.0572 9.4037 116.3756 54.2039 36.4050 175.3200 89 V 3.9437 9.1650 118.4864 61.9086 31.1046 175.2754 90 R 4.1494 8.2027 126.4458 56.4015 30.9330 177.0456 91 R 4.4103 7.3404 116.0777 53.9736 32.6405 174.8363 92 F 5.2706 8.1055 119.3933 54.8419 42.7174 173.3854 93 P 4.9021 0.0000 0.0000 62.9826 32.6766 175.1290 94 A 5.2198 8.8936 122.5628 50.9346 23.5513 175.2350 95 T 4.9904 9.8293 115.3398 62.3019 73.2946 173.2173 96 L 4.5444 8.9916 127.1971 53.3029 43.7224 175.6315 97 V 4.5264 7.9857 123.6091 61.2900 33.1397 174.5510 98 F 4.7977 9.3818 127.2794 56.2220 41.6613 175.3597 99 T 4.7473 8.4140 119.4679 61.5041 69.4241 173.1631 100 D 4.6878 8.9148 122.4159 53.2736 41.3159 175.7599 101 G 4.2557 8.1160 105.9889 46.6771 0.0000 171.1704 *106 A 4.1043 7.8386 123.5363 51.9075 19.6097 175.6646 107 L 4.5239 9.0940 124.1208 53.6837 43.4441 176.2264 108 S 4.2686 8.4735 118.7304 58.0620 67.1145 174.7491 109 G 3.6725 8.6680 110.2267 44.7917 0.0000 171.9171 110 I 4.2568 7.7141 118.2113 59.5876 38.9442 174.6525 111 H 5.0092 8.3495 123.6580 52.5165 32.7363 172.1620 112 P 4.5041 0.0000 0.0000 61.8879 33.2470 177.4314 113 W 4.4535 8.8538 130.7211 60.8244 30.5671 177.8137 114 A 3.6666 8.2684 119.9383 55.2801 17.7251 178.7696 115 E 3.7028 8.0623 116.6631 59.3854 29.4584 178.3172 116 L 3.7217 7.2609 118.6134 58.2231 42.0767 178.3703 117 L 3.7295 6.7218 118.2702 58.4585 42.2374 178.7523 118 T 4.0231 7.4090 115.4279 66.4270 68.4031 176.8987 119 L 3.9019 7.5927 117.1826 55.6432 41.3161 178.8158 *121 R 4.4436 7.9598 121.9184 56.4541 31.8671 177.5654 122 S 4.1647 8.0276 111.8494 61.1109 62.6825 175.2508 123 I 3.8062 7.5203 119.9683 64.4102 37.0921 177.7563 124 V 3.7860 7.8315 118.3934 65.9678 31.6959 175.2783 125 D 4.6130 7.9545 122.5541 54.5604 40.7047 176.1773 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 F 8.18 4.74 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 8 S 8.36 3.97 0.00 4.08 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 9 A 8.14 4.00 1.32 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 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.65 3.80 0.00 1.75 1.68 0.97 1.13 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 11 W 8.29 4.18 0.00 2.61 2.95 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 12 Q 8.10 3.84 0.00 2.19 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.58 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 13 R 7.58 3.79 0.00 1.91 1.87 0.00 3.12 0.00 0.00 3.28 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 14 L 7.64 3.91 0.00 1.68 1.79 1.14 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 15 L 7.50 3.82 0.00 1.36 1.45 0.35 0.44 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 16 T 7.72 3.75 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 1.09 0.00 0.00 17 R 6.99 3.83 0.00 0.96 0.66 0.00 2.21 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 1.30 0.00 18 G 8.35 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 0.00 0.00 0.00 19 W 7.57 4.68 0.00 3.40 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 20 Q 8.68 4.47 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.99 0.00 0.00 0.00 0.00 0.00 2.39 2.50 0.00 21 P 0.00 5.17 0.00 2.10 2.35 0.00 3.65 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 22 V 8.64 4.49 2.11 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 0.69 0.00 0.00 1.05 0.00 0.00 23 E 8.72 4.42 0.00 2.11 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 2.41 2.39 0.00 24 A 8.46 4.54 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 25 S 9.10 4.34 0.00 3.66 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 *34 V 8.43 4.07 1.91 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 0.50 0.00 0.00 0.79 0.00 0.00 35 G 7.72 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 0.00 0.00 0.00 36 D 8.77 4.98 0.00 2.53 2.27 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 0.00 37 G 8.68 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 38 V 9.04 5.16 1.90 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 0.47 0.00 0.00 0.80 0.00 0.00 39 I 8.85 4.90 1.90 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 1.15 0.76 0.92 0.00 0.00 40 L 8.65 4.96 0.00 1.63 1.61 0.80 0.11 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 41 L 8.82 4.81 0.00 1.79 1.59 1.21 0.48 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 42 S 8.77 5.12 0.00 3.95 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 43 S 8.34 4.45 0.00 3.79 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 44 D 8.49 4.16 0.00 2.65 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 45 P 0.00 4.39 0.00 2.32 2.23 0.00 3.77 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.43 0.00 46 R 7.69 4.47 0.00 1.82 1.97 0.00 3.59 0.00 0.00 3.16 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.59 0.00 47 R 9.41 4.68 0.00 1.76 1.93 0.00 3.36 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 *52 S 8.07 4.49 0.00 3.98 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 53 D 7.96 4.89 0.00 2.74 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 54 N 8.23 4.50 0.00 2.73 2.94 0.00 0.00 7.07 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 55 P 0.00 4.65 0.00 2.34 2.41 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 56 V 7.95 3.75 2.11 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 0.79 0.00 0.00 1.06 0.00 0.00 *58 I 7.95 3.99 2.01 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 1.66 0.80 0.69 0.00 0.00 59 A 8.72 4.14 1.57 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 0.00 0.00 60 E 8.28 3.97 0.00 2.22 2.15 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 2.23 2.16 0.00 61 L 8.02 4.42 0.00 1.88 1.53 0.67 0.59 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 62 L 7.93 3.68 0.00 1.71 1.71 0.84 -0.31 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 63 R 7.74 4.10 0.00 2.15 2.15 0.00 3.29 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.76 0.00 64 E 8.19 4.51 0.00 2.40 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 0.00 2.60 2.88 0.00 65 F 8.57 5.46 0.00 3.34 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 66 P 0.00 4.61 0.00 2.09 2.18 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.36 0.00 67 Q 7.85 3.93 0.00 1.70 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 68 F 7.69 4.46 0.00 1.51 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 0.00 0.00 0.00 0.00 69 D 8.12 4.77 0.00 2.64 2.63 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 70 W 7.75 4.75 0.00 3.23 3.14 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 71 Q 9.13 4.91 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 72 V 8.15 4.71 0.80 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 -0.69 0.00 0.00 0.61 0.00 0.00 73 A 8.59 5.20 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 74 V 8.95 5.06 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 1.46 0.00 0.00 1.13 0.00 0.00 75 A 8.52 5.31 1.28 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 0.00 0.00 0.00 76 D 8.35 3.96 0.00 2.13 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 0.00 0.00 0.00 77 L 7.61 3.50 0.00 1.21 1.36 0.43 -0.12 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 78 E 7.93 3.96 0.00 2.08 1.91 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 2.33 2.35 0.00 79 Q 7.80 4.07 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.75 0.00 0.00 0.00 0.00 0.00 2.60 2.57 0.00 80 S 7.38 4.30 0.00 3.80 3.48 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 81 E 8.05 4.05 0.00 1.84 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 0.00 2.35 2.34 0.00 82 A 7.97 4.30 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 83 I 7.87 4.32 2.09 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.72 1.11 0.00 0.00 84 G 8.19 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 0.00 0.00 0.00 0.00 85 D 7.68 4.36 0.00 2.79 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 86 R 7.93 3.72 0.00 1.65 1.94 0.00 3.07 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 87 F 8.08 4.74 0.00 3.10 2.99 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 88 N 9.40 4.06 0.00 2.86 2.87 0.00 0.00 6.75 7.56 0.00 0.00 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 V 9.17 3.94 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 0.52 0.00 0.00 0.97 0.00 0.00 90 R 8.20 4.15 0.00 1.70 1.85 0.00 3.22 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 91 R 7.34 4.41 0.00 1.59 1.67 0.00 3.08 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.48 0.00 92 F 8.11 5.27 0.00 2.94 2.86 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 93 P 0.00 4.90 0.00 2.14 2.06 0.00 3.58 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 94 A 8.89 5.22 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 95 T 9.83 4.99 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 1.10 0.00 0.00 96 L 8.99 4.54 0.00 1.58 1.09 0.46 0.06 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 97 V 7.99 4.53 1.92 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 0.82 0.00 0.00 0.69 0.00 0.00 98 F 9.38 4.80 0.00 3.19 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 99 T 8.41 4.75 4.10 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 0.00 0.00 0.00 1.09 0.00 0.00 100 D 8.91 4.69 0.00 2.73 3.08 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 0.00 101 G 8.12 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 0.00 0.00 0.00 0.00 *106 A 7.84 4.10 1.15 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 0.00 0.00 107 L 9.09 4.52 0.00 1.47 1.53 0.74 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 108 S 8.47 4.27 0.00 3.62 3.71 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 0.00 109 G 8.67 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 0.00 110 I 7.71 4.26 1.86 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.93 0.88 0.00 0.00 111 H 8.35 5.01 0.00 3.06 3.06 0.00 5.95 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 0.00 112 P 0.00 4.50 0.00 2.20 2.03 0.00 3.67 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.17 0.00 113 W 8.85 4.45 0.00 3.48 3.17 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 0.00 0.00 0.00 0.00 114 A 8.27 3.67 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 0.00 115 E 8.06 3.70 0.00 2.00 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 2.16 2.27 0.00 116 L 7.26 3.72 0.00 1.57 1.50 0.87 1.08 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 0.00 117 L 6.72 3.73 0.00 0.54 1.36 1.06 1.13 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 0.00 118 T 7.41 4.02 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 1.16 0.00 0.00 119 L 7.59 3.90 0.00 1.72 1.53 0.57 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 *121 R 7.96 4.44 0.00 2.18 2.15 0.00 3.22 0.00 0.00 3.32 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 122 S 8.03 4.16 0.00 3.92 3.98 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 0.00 123 I 7.52 3.81 1.75 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.83 0.82 0.00 0.00 124 V 7.83 3.79 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 1.26 0.00 0.00 0.91 0.00 0.00 125 D 7.95 4.61 0.00 2.80 2.62 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.