NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.3308 8.2649 123.5838 51.6298 20.1799 177.0109 3 R 3.9647 8.2042 119.8527 54.7563 31.8613 175.3180 4 P 4.2494 0.0000 0.0000 65.9491 31.7991 178.4698 5 L 4.0197 7.8703 118.3427 58.0582 42.0508 178.6379 6 E 3.9954 8.1295 118.2307 59.4705 29.5878 179.1443 7 Q 4.0052 8.2275 117.9128 58.7473 28.7758 178.6923 8 A 3.9912 8.1043 121.7582 55.3514 18.5376 179.9700 9 V 3.6211 8.2366 116.9606 66.0153 31.5699 178.0923 10 A 4.0740 8.3503 120.5048 54.9533 18.1217 179.4809 11 A 4.0532 7.9817 119.3018 55.2809 18.4534 179.9230 12 I 3.8526 7.8233 118.5193 64.5142 37.0667 178.8724 13 V 3.8968 8.0666 119.2867 65.9310 31.3657 177.4354 14 C 4.0713 8.2582 118.5824 62.9937 31.3745 175.7588 15 T 3.9805 8.2140 117.0545 66.6315 68.1003 176.1131 16 F 3.6215 8.1082 122.0368 61.4910 39.2956 176.8723 17 Q 3.9573 8.6392 119.3065 59.0663 28.5303 177.9193 18 E 3.8449 8.0299 119.4670 59.5696 29.8425 178.2205 19 Y 3.8970 8.0757 116.3639 60.8593 37.5519 177.9837 20 A 3.7310 8.2353 122.9956 54.5556 18.5370 179.0426 21 G 3.7508 7.8982 103.1069 46.4457 0.0000 175.0676 22 R 3.9542 7.4050 119.8102 58.4923 30.1379 176.3562 23 C 4.5406 7.8298 108.0575 58.3419 32.4607 175.2704 24 G 3.6498 8.5340 107.5256 45.7574 0.0000 173.6415 25 D 4.3702 8.5004 123.0295 53.8550 41.1064 177.6974 26 K 4.1904 8.3874 126.0529 58.4963 32.6470 177.0486 27 Y 5.0939 8.3389 116.8131 57.8463 38.1117 174.9940 28 K 5.2489 8.0769 118.4726 55.1132 36.7018 175.4131 29 L 5.0606 8.7323 120.2666 53.4123 46.6056 175.5385 30 C 5.0154 8.6828 115.6148 56.9094 31.9762 174.9675 31 Q 4.0535 9.0727 119.1709 58.7360 28.1084 179.2897 32 A 3.9592 7.9534 122.3171 55.2779 18.3854 179.5654 33 E 4.0549 8.1230 116.5638 59.1153 29.4907 179.2063 34 L 3.9141 7.8639 120.8068 57.9859 42.1549 178.9217 35 K 3.9058 8.2308 119.7637 59.2701 32.1127 178.3826 36 E 3.9366 8.1380 119.7043 59.1529 29.5626 178.4653 37 L 3.4856 8.0723 120.6302 58.1175 42.1371 178.9726 38 L 3.9231 8.0753 119.0022 58.0017 41.1439 179.5880 39 Q 4.1469 8.4431 117.9387 58.0882 28.4012 178.2297 40 K 4.1309 7.9124 119.8352 58.9185 32.7525 178.1604 41 E 4.2913 8.7964 117.7544 57.6436 30.0737 176.9105 42 L 4.6519 7.8445 119.1280 53.4950 42.7118 178.4431 43 A 4.2591 8.7068 122.9457 54.7693 18.4349 179.4280 44 T 4.3466 7.9560 102.5912 61.9481 69.5870 174.6888 45 W 4.3310 8.4417 124.3449 56.6268 29.6666 175.7424 46 T 4.5096 8.0703 112.7746 58.4017 71.3573 171.6067 47 P 4.4482 0.0000 0.0000 63.0341 31.9401 176.3000 48 T 4.2169 8.9948 111.3427 60.8766 69.9256 175.5394 49 E 3.5957 8.5141 121.5457 59.3751 29.2729 179.1678 50 F 4.8457 8.1847 113.7704 57.3941 39.4878 176.0490 51 R 4.7703 8.1224 117.3199 55.6082 31.6083 177.4314 52 E 3.9552 8.3682 120.2745 59.7557 29.3809 178.8250 53 C 4.1207 8.0489 116.1215 62.9160 28.1733 175.7338 54 D 4.2447 7.9976 119.8110 57.4362 40.4060 177.9833 55 Y 3.4223 7.7880 120.0013 60.6538 38.7045 177.8522 56 N 4.2698 8.7632 117.5575 56.3091 38.6585 177.5095 57 K 3.8913 8.1344 119.7516 59.3717 32.0246 178.9152 58 F 4.0796 8.2747 121.1347 61.9006 39.3603 177.2089 59 M 3.8132 8.0707 118.1220 58.2972 31.6784 179.0148 60 S 4.2722 8.1713 115.7545 61.3925 62.9529 176.7982 61 V 3.5428 8.1149 121.5149 65.9143 30.9955 178.0740 62 L 3.8635 7.1182 117.9092 57.6799 41.7585 179.0469 63 D 4.4341 7.5915 118.0515 57.7212 40.6307 178.8782 64 T 3.9612 7.7601 114.8513 65.4732 68.8326 174.5237 65 N 5.0535 8.0360 118.6444 52.0716 39.7716 176.8203 66 K 3.8633 7.9164 119.8060 59.8709 32.3428 178.6777 67 D 4.6593 7.8713 114.8049 55.1171 41.5043 176.3981 68 C 4.4669 8.0374 118.0670 59.8120 29.3372 172.6504 69 E 5.2017 8.6371 120.2771 55.1308 32.0289 175.8079 70 V 4.6675 8.8550 114.6525 59.9750 36.4460 175.6024 71 D 5.4238 8.5057 123.6412 52.5732 42.2675 176.3730 72 F 3.5594 8.9039 118.7957 61.6708 39.2417 177.5185 73 V 3.3305 7.8338 117.3447 65.9152 31.3104 177.4557 74 E 3.9219 8.7239 119.2794 59.2048 29.3387 178.1550 75 Y 4.1297 7.9644 119.7136 60.8000 38.9398 178.2504 76 V 2.8103 7.5217 119.4720 65.4584 31.3831 177.8927 77 R 3.7549 7.7892 118.9067 59.3278 29.9157 178.6126 78 S 4.1763 8.0047 114.0565 61.5334 63.0338 176.5648 79 L 3.7859 7.3749 122.2021 57.2024 41.2551 179.2730 80 A 3.8221 7.6927 120.7544 55.3494 18.3097 179.4574 81 C 3.4854 7.9183 115.3348 62.7268 28.0817 176.4135 82 L 4.0935 7.6465 120.4252 57.7579 41.0297 179.4397 83 C 4.5244 7.8099 116.4475 63.0187 27.9138 176.0358 84 L 3.6666 7.1743 119.1059 57.7169 41.3537 178.6672 85 Y 4.7035 7.6244 116.2201 59.5150 38.0458 176.6104 86 C 5.1050 8.7060 114.0135 58.6152 30.1066 172.9530 87 H 4.5499 8.4926 121.5007 53.9918 30.8574 175.4199 88 E 4.0223 8.6275 126.2199 59.5802 29.6337 178.4963 89 Y 3.8958 8.4160 118.7643 60.1556 38.8659 176.6174 90 F 4.6638 8.2064 116.3115 56.8417 39.4822 177.0696 91 K 3.8833 7.9857 124.1797 59.6130 31.7755 177.4503 92 D 4.7869 7.8125 114.7637 53.9897 41.1145 175.4623 93 C 4.1577 8.1055 123.1495 58.9812 32.2023 172.4448 *94 P 4.2380 0.0000 0.0000 62.3762 31.0480 173.3563 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 A 8.26 4.33 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 3 R 8.20 3.96 0.00 1.96 1.87 0.00 3.35 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 4 P 0.00 4.25 0.00 2.16 2.12 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 5 L 7.87 4.02 0.00 1.76 1.66 0.93 0.98 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 6 E 8.13 4.00 0.00 2.20 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 2.41 2.41 0.00 7 Q 8.23 4.01 0.00 2.27 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 8 A 8.10 3.99 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 9 V 8.24 3.62 2.12 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 1.09 0.00 0.00 1.00 0.00 0.00 10 A 8.35 4.07 1.44 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 0.00 0.00 0.00 11 A 7.98 4.05 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.82 3.85 2.18 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 1.42 1.27 1.07 0.00 0.00 13 V 8.07 3.90 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 1.02 0.00 0.00 0.95 0.00 0.00 14 C 8.26 4.07 0.00 3.20 3.23 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 15 T 8.21 3.98 4.45 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 0.00 0.00 0.00 1.26 0.00 0.00 16 F 8.11 3.62 0.00 2.94 3.34 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 17 Q 8.64 3.96 0.00 2.20 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 18 E 8.03 3.84 0.00 2.16 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 0.00 2.10 2.27 0.00 19 Y 8.08 3.90 0.00 2.84 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 20 A 8.24 3.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.90 3.75 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 0.00 0.00 0.00 22 R 7.40 3.95 0.00 1.75 1.92 0.00 3.17 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 23 C 7.83 4.54 0.00 2.98 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 24 G 8.53 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 0.00 0.00 0.00 25 D 8.50 4.37 0.00 2.72 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 26 K 8.39 4.19 0.00 1.59 1.69 0.00 0.96 0.00 0.00 1.10 0.00 0.00 2.60 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.80 0.21 7.81 27 Y 8.34 5.09 0.00 3.23 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 28 K 8.08 5.25 0.00 1.67 1.73 0.00 1.92 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.51 1.59 7.81 29 L 8.73 5.06 0.00 1.62 1.47 0.71 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.68 5.02 0.00 3.24 3.04 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 31 Q 9.07 4.05 0.00 2.24 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 32 A 7.95 3.96 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 33 E 8.12 4.05 0.00 2.19 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 0.00 2.44 2.38 0.00 34 L 7.86 3.91 0.00 1.81 1.86 1.12 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 35 K 8.23 3.91 0.00 1.88 1.93 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.40 7.81 36 E 8.14 3.94 0.00 2.24 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 0.00 2.50 2.41 0.00 37 L 8.07 3.49 0.00 1.00 1.55 0.36 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.08 3.92 0.00 1.90 1.78 1.13 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.44 4.15 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.46 2.62 0.00 40 K 7.91 4.13 0.00 1.85 2.05 0.00 1.99 0.00 0.00 1.79 0.00 0.00 3.06 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.54 7.81 41 E 8.80 4.29 0.00 1.96 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 2.47 2.47 0.00 42 L 7.84 4.65 0.00 1.78 1.22 0.40 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.71 4.26 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 44 T 7.96 4.35 4.33 0.00 0.00 0.00 0.00 0.00 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 45 W 8.44 4.33 0.00 3.54 3.32 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 46 T 8.07 4.51 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 1.20 0.00 0.00 47 P 0.00 4.45 0.00 2.06 1.71 0.00 3.30 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.48 0.00 48 T 8.99 4.22 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 1.38 0.00 0.00 49 E 8.51 3.60 0.00 1.73 1.13 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 2.13 2.28 0.00 50 F 8.18 4.85 0.00 3.01 3.09 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 51 R 8.12 4.77 0.00 2.03 2.05 0.00 3.53 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.08 0.00 52 E 8.37 3.96 0.00 1.99 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 2.32 2.47 0.00 53 C 8.05 4.12 0.00 2.98 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 54 D 8.00 4.24 0.00 2.74 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.79 3.42 0.00 2.92 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 56 N 8.76 4.27 0.00 2.87 2.87 0.00 0.00 7.10 8.07 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 57 K 8.13 3.89 0.00 1.95 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.64 7.81 58 F 8.27 4.08 0.00 3.11 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 59 M 8.07 3.81 0.00 1.90 1.86 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 60 S 8.17 4.27 0.00 3.93 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 61 V 8.11 3.54 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 0.95 0.00 0.00 0.96 0.00 0.00 62 L 7.12 3.86 0.00 1.57 1.56 0.58 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.59 4.43 0.00 2.92 2.67 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 64 T 7.76 3.96 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 65 N 8.04 5.05 0.00 2.76 2.74 0.00 0.00 6.88 7.44 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 66 K 7.92 3.86 0.00 1.83 1.87 0.00 1.64 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.68 7.81 67 D 7.87 4.66 0.00 2.66 2.70 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 0.00 0.00 0.00 0.00 68 C 8.04 4.47 0.00 3.13 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 69 E 8.64 5.20 0.00 1.87 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 0.00 2.25 2.33 0.00 70 V 8.85 4.67 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 1.01 0.00 0.00 1.11 0.00 0.00 71 D 8.51 5.42 0.00 2.90 2.93 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 0.00 0.00 0.00 72 F 8.90 3.56 0.00 2.47 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 73 V 7.83 3.33 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 0.92 0.00 0.00 0.96 0.00 0.00 74 E 8.72 3.92 0.00 2.32 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 2.32 2.49 0.00 75 Y 7.96 4.13 0.00 3.24 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 76 V 7.52 2.81 1.74 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 0.63 0.00 0.00 -0.09 0.00 0.00 77 R 7.79 3.75 0.00 1.93 2.07 0.00 3.12 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 78 S 8.00 4.18 0.00 4.48 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 0.00 79 L 7.37 3.79 0.00 1.52 1.49 0.44 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.69 3.82 1.19 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 0.00 0.00 81 C 7.92 3.49 0.00 2.55 2.12 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 82 L 7.65 4.09 0.00 1.81 1.91 0.97 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 83 C 7.81 4.52 0.00 3.11 3.11 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 84 L 7.17 3.67 0.00 1.14 1.43 0.59 0.06 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 85 Y 7.62 4.70 0.00 3.18 3.02 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 0.00 0.00 0.00 86 C 8.71 5.11 0.00 3.15 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 87 H 8.49 4.55 0.00 3.23 3.54 0.00 5.79 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 88 E 8.63 4.02 0.00 1.97 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 2.30 2.19 0.00 89 Y 8.42 3.90 0.00 2.69 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.21 4.66 0.00 3.22 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 91 K 7.99 3.88 0.00 1.86 1.89 0.00 2.05 0.00 0.00 1.76 0.00 0.00 3.22 0.00 0.00 3.42 0.00 0.00 0.00 0.00 1.59 1.61 7.81 92 D 7.81 4.79 0.00 2.59 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 93 C 8.11 4.16 0.00 3.09 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 *94 P 0.00 4.24 0.00 1.88 1.84 0.00 3.72 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.07 0.00 * Residues marked with a * may have inaccurate shift predictions.