NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.6299 8.2348 114.6864 58.0065 62.5889 172.3562 2 L 3.8367 7.7098 123.7085 53.4030 42.4465 174.8639 3 S 4.5931 9.4027 119.1091 56.5017 64.1363 172.5994 4 I 4.6302 8.3453 127.8163 60.5033 40.9839 175.1694 5 G 4.2458 9.7807 109.3207 44.0269 0.0000 171.6800 6 R 4.8021 9.3023 117.4945 55.5472 33.4567 176.1066 7 T 4.4987 8.5842 107.6065 62.6367 70.2754 173.8898 8 C 5.3097 7.6347 122.7092 58.0419 34.5273 172.8270 9 W 5.0093 9.7250 125.7400 54.7509 32.7528 174.1728 10 A 5.2224 8.8287 124.0276 50.2102 21.6168 175.5572 11 I 4.4341 9.0107 122.2957 59.4806 39.4193 176.5845 12 A 3.9670 8.8423 130.4261 53.4219 18.8480 176.3316 13 E 4.5572 7.3636 116.1079 54.4761 32.2651 175.4117 14 G 2.8022 7.4389 107.3675 45.3089 0.0000 171.8797 15 Y 4.9158 7.2985 120.1166 57.5976 41.5640 172.5638 16 I 4.4654 7.9770 128.9684 58.9177 38.7200 173.8316 17 P 3.9242 0.0000 0.0000 61.3291 32.1837 176.2551 18 P 4.4903 0.0000 0.0000 62.4529 30.5255 177.4981 *31 E 4.7413 8.2840 119.0543 56.0626 32.4449 176.7988 32 T 4.8201 7.7544 115.7317 61.5471 71.8227 173.3936 33 V 4.2051 8.3386 127.5499 62.0832 33.1576 174.2244 34 C 4.8696 8.9986 126.5253 58.2460 30.1071 172.7585 35 I 4.7847 8.7103 124.9783 59.1995 40.1273 174.2741 36 L 4.8780 9.0133 128.2175 53.1525 45.0977 174.5596 37 N 5.1188 9.1785 124.9253 52.1164 40.3028 174.3723 38 A 4.4396 8.7490 128.4742 52.1033 19.9303 177.0345 39 G 3.9777 7.9472 106.0638 44.4035 0.0000 174.1144 40 D 4.7263 8.4396 116.2074 53.9758 41.1129 175.5802 41 E 4.8482 7.6785 120.0536 53.8953 32.3277 175.1051 42 D 4.7277 8.9658 125.8603 55.0573 41.9434 175.5801 43 A 4.4737 9.3225 124.7069 51.0038 20.6236 175.9486 44 H 5.1502 8.6638 120.7459 54.7956 29.9542 174.3273 45 V 4.5272 8.9612 124.9422 61.7167 33.5567 174.4896 46 E 5.2784 9.3123 126.6023 54.7390 32.8031 174.7409 47 I 5.0666 9.2243 125.7035 60.0437 39.9021 174.7648 48 T 5.1660 9.0357 122.6956 61.8708 71.8216 172.9798 49 I 4.8379 8.6886 126.6297 59.8593 39.6331 174.2869 50 Y 4.7272 9.0364 124.8180 56.4608 40.6685 174.3828 51 Y 5.3103 8.4183 118.8259 55.9994 41.6013 176.0390 52 S 4.4212 9.0972 114.6271 60.6811 63.5027 174.9902 53 D 4.8334 8.0650 117.1767 52.8749 40.7694 174.4839 54 K 4.6868 7.8282 117.1228 55.2137 35.5739 175.5858 55 E 4.1129 8.6748 119.4530 55.8215 29.9049 175.5817 56 P 4.4554 0.0000 0.0000 62.7441 32.0738 175.6309 57 V 4.3320 9.4265 118.8188 59.7076 33.6969 175.9165 58 G 4.0066 7.8978 113.4954 44.9336 0.0000 168.9806 59 P 4.8039 0.0000 0.0000 62.7970 32.4743 175.6613 60 Y 4.5406 9.3415 122.2687 57.0807 38.9097 174.6872 61 R 5.2556 8.5463 123.7128 54.9726 32.3350 175.5273 62 L 4.5545 8.5495 120.9656 55.3814 44.2921 173.6080 63 T 5.1027 8.4910 116.3209 61.8055 71.3263 173.8200 64 V 4.2898 8.7283 126.5523 60.3602 33.3470 173.3244 65 P 4.9444 0.0000 0.0000 62.0684 32.2234 176.2053 66 A 3.9010 8.7320 123.3405 53.3822 18.7497 178.1242 67 R 3.8446 8.3560 121.0881 57.1314 28.4154 175.8320 68 R 4.7663 7.7423 114.0702 55.1668 35.4902 174.9477 69 T 5.0282 8.2503 114.5422 60.7878 70.3828 173.1309 70 K 4.5591 8.7749 124.2264 55.6316 36.1905 173.7759 71 H 5.2171 8.8528 124.3791 54.2087 30.6094 174.1350 72 V 4.2520 9.0154 124.3843 61.0758 34.0306 174.2983 73 R 4.6870 8.3078 126.9931 54.8187 31.4676 177.5423 74 F 4.1337 9.5232 124.0496 60.5623 39.2755 177.0080 75 N 4.2412 8.1450 118.3266 56.6940 38.6174 175.1112 76 D 4.6310 7.8737 115.2626 54.7711 41.7008 176.5818 77 L 4.3448 7.7227 121.3081 54.6113 41.7721 177.2799 78 N 5.0549 8.8673 116.3436 52.3746 40.3583 173.0246 79 D 4.9103 8.2086 119.5433 51.7880 42.4825 174.2377 80 P 4.2829 0.0000 0.0000 63.9762 32.0921 175.8613 81 A 4.5334 6.9682 117.9334 51.4452 21.5008 174.1938 82 P 5.0394 0.0000 0.0000 62.1357 32.1049 176.1544 83 I 4.2700 7.9831 121.4813 58.9709 37.9252 174.4003 84 P 4.3031 0.0000 0.0000 63.4735 31.5028 175.8797 85 H 4.4784 8.6832 117.6307 55.4841 29.7761 174.3303 86 D 4.4750 9.3212 116.1227 54.3370 40.1007 172.8899 87 T 4.8753 7.1701 112.2995 60.9936 71.8389 173.3995 88 D 4.9891 9.1599 126.9655 54.6983 41.6234 175.4771 89 F 5.1014 8.4892 117.2707 55.8345 41.7256 172.7685 90 A 4.8683 9.0385 119.2925 50.4008 23.0043 175.1926 91 S 5.4033 9.2037 113.0256 56.6857 67.2354 172.9912 92 V 4.9243 9.1813 121.0365 61.2748 34.3423 174.1519 93 I 5.0084 9.4295 128.7493 59.8216 39.5584 174.6175 94 Q 5.3749 9.4794 126.2042 54.3307 32.3356 174.6852 95 S 5.2814 9.0839 115.5510 55.9877 65.3493 173.8468 96 N 4.6210 9.0599 122.4788 55.1400 37.7286 175.4102 97 V 4.5714 7.4785 110.5198 58.1638 35.2271 173.4748 98 P 4.7144 0.0000 0.0000 63.1514 31.8105 175.6967 99 I 4.8915 9.0945 116.1245 59.3247 41.9410 173.8215 100 V 4.4691 8.6226 122.8729 61.0812 33.7649 174.5255 101 V 4.3886 5.7374 126.1610 60.8314 34.0720 174.1617 102 Q 4.6473 9.0201 128.5995 54.2616 32.8449 174.8849 103 H 4.9647 8.3501 117.9905 54.8101 28.7552 173.5611 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 1 S 8.23 4.63 0.00 3.91 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 2 L 7.71 3.84 0.00 2.02 1.59 0.93 0.41 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 3 S 9.40 4.59 0.00 3.80 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 4 I 8.35 4.63 1.92 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.81 0.96 0.00 0.00 5 G 9.78 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 0.00 0.00 0.00 0.00 6 R 9.30 4.80 0.00 1.66 1.85 0.00 2.29 0.00 0.00 2.65 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.67 0.00 7 T 8.58 4.50 4.46 0.00 0.00 0.00 0.00 0.00 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 8 C 7.63 5.31 0.00 2.95 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 9 W 9.73 5.01 0.00 3.26 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 10 A 8.83 5.22 1.17 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 0.00 0.00 11 I 9.01 4.43 1.94 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.94 0.78 0.00 0.00 12 A 8.84 3.97 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 13 E 7.36 4.56 0.00 1.85 1.71 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 2.11 2.22 0.00 14 G 7.44 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 0.00 0.00 0.00 15 Y 7.30 4.92 0.00 2.90 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 16 I 7.98 4.47 1.62 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.92 0.77 0.00 0.00 17 P 0.00 3.92 0.00 2.14 2.23 0.00 3.74 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 18 P 0.00 4.49 0.00 2.10 2.16 0.00 3.77 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 2.12 2.40 0.00 *31 E 8.28 4.74 0.00 2.00 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 0.00 2.40 2.37 0.00 32 T 7.75 4.82 4.20 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 1.17 0.00 0.00 33 V 8.34 4.21 1.80 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 0.81 0.00 0.00 0.38 0.00 0.00 34 C 9.00 4.87 0.00 2.67 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.71 4.78 1.79 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 0.94 0.63 0.82 0.00 0.00 36 L 9.01 4.88 0.00 1.62 1.40 0.91 0.35 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 37 N 9.18 5.12 0.00 2.84 2.91 0.00 0.00 6.77 8.48 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 38 A 8.75 4.44 1.29 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 0.00 0.00 39 G 7.95 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 0.00 0.00 0.00 40 D 8.44 4.73 0.00 2.72 2.69 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 41 E 7.68 4.85 0.00 1.92 1.76 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 2.13 2.28 0.00 42 D 8.97 4.73 0.00 2.59 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 43 A 9.32 4.47 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 44 H 8.66 5.15 0.00 3.10 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 8.96 4.53 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 0.99 0.00 0.00 0.96 0.00 0.00 46 E 9.31 5.28 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 47 I 9.22 5.07 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.81 1.04 0.00 0.00 48 T 9.04 5.17 4.47 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 0.87 0.00 0.00 49 I 8.69 4.84 1.82 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.54 0.17 0.00 0.00 50 Y 9.04 4.73 0.00 2.85 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 51 Y 8.42 5.31 0.00 3.05 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 52 S 9.10 4.42 0.00 4.04 4.08 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 53 D 8.06 4.83 0.00 2.75 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 54 K 7.83 4.69 0.00 1.82 1.73 0.00 1.02 0.00 0.00 1.51 0.00 0.00 2.55 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.20 1.42 7.81 55 E 8.67 4.11 0.00 1.99 1.95 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 2.34 2.27 0.00 56 P 0.00 4.46 0.00 1.63 0.82 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.69 0.00 57 V 9.43 4.33 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 1.04 0.00 0.00 1.07 0.00 0.00 58 G 7.90 4.01 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 0.00 0.00 0.00 59 P 0.00 4.80 0.00 2.12 2.19 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.00 0.00 60 Y 9.34 4.54 0.00 2.94 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 61 R 8.55 5.26 0.00 1.70 1.86 0.00 3.24 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 62 L 8.55 4.55 0.00 1.75 1.73 0.91 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.49 5.10 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 1.32 0.00 0.00 64 V 8.73 4.29 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 0.98 0.00 0.00 0.92 0.00 0.00 65 P 0.00 4.94 0.00 1.98 1.98 0.00 3.77 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 2.03 2.10 0.00 66 A 8.73 3.90 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 67 R 8.36 3.84 0.00 1.99 2.00 0.00 3.12 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 68 R 7.74 4.77 0.00 1.73 1.75 0.00 3.23 0.00 0.00 3.09 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 69 T 8.25 5.03 4.23 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 1.19 0.00 0.00 70 K 8.77 4.56 0.00 1.82 1.55 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.40 7.81 71 H 8.85 5.22 0.00 2.99 3.15 0.00 5.72 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 9.02 4.25 1.84 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 0.87 0.00 0.00 0.84 0.00 0.00 73 R 8.31 4.69 0.00 1.95 1.82 0.00 3.19 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 74 F 9.52 4.13 0.00 3.15 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 75 N 8.14 4.24 0.00 2.93 2.90 0.00 0.00 7.25 9.09 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 76 D 7.87 4.63 0.00 2.83 2.69 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 77 L 7.72 4.34 0.00 1.89 1.42 0.86 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.87 5.05 0.00 2.89 3.03 0.00 0.00 5.69 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 79 D 8.21 4.91 0.00 2.65 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.28 0.00 2.04 1.96 0.00 2.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 81 A 6.97 4.53 1.20 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 0.00 0.00 82 P 0.00 5.04 0.00 2.09 2.04 0.00 3.74 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 83 I 7.98 4.27 1.62 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.31 0.32 0.00 0.00 84 P 0.00 4.30 0.00 2.17 2.03 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.81 0.00 85 H 8.68 4.48 0.00 3.16 3.31 0.00 5.79 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 D 9.32 4.48 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 87 T 7.17 4.88 4.58 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 88 D 9.16 4.99 0.00 2.68 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 89 F 8.49 5.10 0.00 2.59 2.79 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 90 A 9.04 4.87 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 91 S 9.20 5.40 0.00 4.07 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 0.00 92 V 9.18 4.92 2.35 0.00 0.00 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 0.91 0.00 0.00 93 I 9.43 5.01 2.05 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 1.31 0.82 0.97 0.00 0.00 94 Q 9.48 5.37 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.72 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 95 S 9.08 5.28 0.00 3.91 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 96 N 9.06 4.62 0.00 2.77 2.96 0.00 0.00 5.86 7.68 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 97 V 7.48 4.57 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 0.73 0.00 0.00 0.94 0.00 0.00 98 P 0.00 4.71 0.00 2.00 2.14 0.00 3.65 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 2.06 2.12 0.00 99 I 9.09 4.89 1.84 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 0.94 0.00 0.00 100 V 8.62 4.47 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 0.57 0.00 0.00 1.06 0.00 0.00 101 V 5.74 4.39 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 0.00 0.00 0.61 0.00 0.00 0.32 0.00 0.00 102 Q 9.02 4.65 0.00 1.92 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.50 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 103 H 8.35 4.96 0.00 3.29 3.25 0.00 5.41 0.00 0.00 0.00 0.00 6.91 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.