NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 T 4.3407 8.1701 110.9367 61.2323 70.4031 174.2395 4 A 4.4329 8.0366 123.9214 53.2086 22.2780 176.3884 5 Y 4.6143 9.0320 113.9970 60.9256 40.1551 172.2393 6 D 4.6203 7.5455 121.0553 52.9157 39.7240 175.1382 7 V 4.6247 8.7912 122.4187 63.9425 38.7561 173.7207 8 I 4.2309 7.5984 123.2040 60.8002 37.3355 174.8550 9 L 4.8188 8.7047 134.1848 54.4532 43.7029 176.2547 10 A 4.4019 8.9306 127.4078 52.6930 19.9985 175.1401 11 P 4.9535 0.0000 0.0000 61.3606 32.9262 176.8535 12 V 2.7255 7.5638 121.1413 61.6036 32.0819 176.7956 13 L 4.4091 7.3628 120.8824 50.4272 42.4571 175.3781 14 S 4.6010 7.3602 113.5925 56.8254 64.8714 177.2837 15 E 3.9750 7.7228 123.0796 58.3197 29.6007 179.4111 16 K 3.8331 8.0644 118.9742 59.9944 32.0368 177.9775 17 A 3.7815 8.0958 120.1999 55.7515 18.4124 178.8418 18 Y 2.0000 6.1987 113.3344 60.1946 37.9098 178.6323 19 A 4.1999 8.9188 122.8630 55.2359 18.4194 179.3931 20 G 3.9833 8.0356 101.5592 46.0663 0.0000 175.1068 21 F 4.5092 8.6042 119.6935 59.0263 38.8882 176.7373 22 A 4.2905 7.5949 119.8097 52.7915 18.6917 177.2952 23 E 4.3728 8.4021 111.7364 56.1531 29.4943 175.7860 24 G 4.0031 9.4956 112.1693 45.4057 0.0000 173.5824 25 K 3.9713 8.7045 127.8513 56.8617 32.8371 174.9917 26 Y 4.0968 8.4957 125.3516 54.3908 40.8163 175.4137 27 T 4.4584 8.1039 114.5180 60.5982 69.9247 172.7885 28 F 4.9908 8.5133 121.6193 55.1183 44.1264 174.8883 29 W 5.3529 8.7412 121.2246 56.1834 26.8594 175.8899 30 V 4.1676 8.3851 121.2482 63.4269 32.3090 174.7696 31 H 3.7155 10.0414 126.9112 54.2326 29.7801 172.3398 32 P 4.1000 0.0000 0.0000 65.1769 32.1635 176.2803 33 K 4.7354 7.4086 122.2732 54.7340 33.5043 176.1364 34 A 3.8535 9.0238 122.8464 53.2784 16.4344 177.8060 35 T 3.7137 8.5988 112.8952 67.1687 67.2609 175.8017 36 K 3.9051 8.1940 118.6573 58.0294 30.7628 174.9425 37 T 3.8727 8.0821 126.6171 66.7537 68.7680 175.8303 38 E 4.4641 8.2850 121.8623 56.4282 28.8037 177.5709 39 I 4.2066 8.1097 113.4967 60.9165 39.0073 177.7130 40 K 3.7917 7.9565 121.5816 60.0748 32.4350 178.2298 41 N 4.6860 8.0237 113.6114 52.7265 36.8525 174.8909 42 A 4.6273 8.0971 118.2093 52.0868 20.8251 176.6800 43 V 3.9516 8.1421 115.0401 64.3519 33.5914 177.6386 44 E 4.0016 8.0608 117.2365 58.8492 29.2862 177.8133 45 T 4.6012 7.7843 108.2269 61.0590 69.0922 175.1446 46 A 4.5504 8.3571 121.6280 53.4185 23.1569 177.7103 47 F 4.4296 8.2225 111.9129 56.7990 41.0328 176.4054 48 K 4.2995 7.8569 115.2819 57.8996 29.3134 173.8821 49 V 4.3489 7.5107 131.5337 60.7837 32.7681 177.7380 50 K 4.9064 8.2401 117.2632 55.9986 34.2931 172.9649 51 V 4.5322 8.5134 126.3001 61.5109 33.6237 175.5571 52 V 4.3676 8.1402 122.6459 60.4429 31.5971 173.8901 53 K 4.4003 7.2542 120.2194 55.0717 33.3186 173.8795 54 V 5.3628 7.5811 121.8027 63.2061 34.6625 172.1817 55 N 5.0534 8.1597 118.9689 53.1327 42.1647 172.7988 56 T 4.6990 8.2715 109.6620 62.6179 71.6953 173.3298 57 L 4.2355 7.2441 120.7020 54.4690 47.8969 174.9408 58 H 5.1308 8.4219 123.0967 57.9742 33.0419 175.0929 59 V 3.9695 8.5863 121.1507 61.2435 39.0292 179.0728 60 R 3.1663 8.8827 122.9632 57.8052 28.3209 175.4654 61 G 3.8560 8.7505 110.7586 45.9312 0.0000 173.1429 62 K 4.5949 7.2117 123.1106 54.3039 34.2751 174.7529 63 K 4.6484 8.3896 120.4911 54.3376 35.3940 174.3373 64 K 4.7025 8.2460 119.1802 55.0437 35.0181 174.2120 65 R 4.0554 9.7846 121.7401 56.3582 30.6847 174.0384 66 L 4.2817 9.1317 131.0962 55.2686 41.5740 174.7994 67 G 4.3823 7.7523 101.8291 44.6781 0.0000 176.0272 68 R 5.0828 9.2792 119.5947 56.1123 32.6308 169.4801 69 Y 3.4997 8.4086 121.6034 57.7293 37.8881 168.8705 70 L 4.4236 8.6674 121.3713 55.3471 44.5608 177.9119 71 G 3.8133 8.8640 110.4096 46.1691 0.0000 172.6579 72 K 4.3456 8.8616 122.0281 58.7170 38.8089 176.5243 73 R 4.0588 8.1292 117.5198 54.0444 28.9864 172.8176 74 P 4.3840 0.0000 0.0000 64.2689 31.6439 176.2436 75 D 4.7881 7.6662 119.3065 54.6287 42.0409 175.6516 76 R 5.5079 8.0271 118.9484 56.2497 29.8036 172.8074 77 K 4.4384 7.5915 121.1313 55.7210 35.5934 173.6077 78 K 4.6932 8.4364 124.5614 56.6640 33.6556 175.3595 79 A 4.8665 8.2605 125.6708 50.7391 20.2125 176.7579 80 I 3.8560 8.5834 121.5445 61.3837 39.4715 174.1354 81 V 3.7021 7.9060 124.0472 61.8643 32.1271 171.2250 82 Q 4.0986 8.5935 126.8084 56.0154 29.1966 175.8360 83 V 3.7550 9.0703 113.6566 63.2117 31.6930 174.2501 84 A 4.2423 9.3132 128.2147 52.1435 16.2679 177.9418 85 P 4.1940 0.0000 0.0000 64.5787 31.6762 176.3916 86 G 3.8689 7.7105 106.1404 45.5488 0.0000 172.8818 87 Q 4.5071 8.6770 120.8202 55.8390 31.2626 170.7299 88 K 3.6781 9.1596 125.0078 57.1780 32.0051 176.0488 89 I 3.2595 8.4957 119.7296 62.1812 35.6722 174.6332 90 E 3.6778 8.2219 122.0430 59.1124 29.5543 178.0606 91 A 4.3832 7.8652 117.6471 52.5411 18.9461 176.8793 92 L 4.2674 7.6770 116.9753 54.5009 41.8787 175.5497 93 E 4.1890 9.0822 128.4080 56.4107 29.4890 175.4975 94 G 3.3801 7.9097 108.1766 48.0417 0.0000 174.0011 *95 L 4.1219 7.6638 124.4324 53.7114 41.6291 178.7018 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 3 T 8.17 4.34 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 1.20 0.00 0.00 4 A 8.04 4.43 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 5 Y 9.03 4.61 0.00 2.95 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 6 D 7.55 4.62 0.00 2.70 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 7 V 8.79 4.62 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 0.87 0.00 0.00 0.93 0.00 0.00 8 I 7.60 4.23 1.85 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.18 0.77 0.00 0.00 9 L 8.70 4.82 0.00 1.84 1.66 0.99 1.27 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 10 A 8.93 4.40 1.36 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 0.00 0.00 0.00 11 P 0.00 4.95 0.00 1.96 2.12 0.00 3.71 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 2.13 2.28 0.00 12 V 7.56 2.73 1.55 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 0.41 0.00 0.00 0.51 0.00 0.00 13 L 7.36 4.41 0.00 1.52 1.61 0.94 0.96 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 14 S 7.36 4.60 0.00 3.76 3.52 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 15 E 7.72 3.98 0.00 2.11 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 2.40 2.49 0.00 16 K 8.06 3.83 0.00 1.81 1.76 0.00 1.61 0.00 0.00 1.82 0.00 0.00 3.15 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.57 7.81 17 A 8.10 3.78 0.62 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 18 Y 6.20 2.00 0.00 2.76 2.33 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 0.00 19 A 8.92 4.20 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 0.00 0.00 20 G 8.04 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 21 F 8.60 4.51 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 22 A 7.59 4.29 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 23 E 8.40 4.37 0.00 1.85 1.64 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 2.22 2.28 0.00 24 G 9.50 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.70 3.97 0.00 1.75 1.81 0.00 1.47 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.16 0.65 7.81 26 Y 8.50 4.10 0.00 2.80 3.24 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 27 T 8.10 4.46 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 1.09 0.00 0.00 28 F 8.51 4.99 0.00 2.94 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 29 W 8.74 5.35 0.00 3.48 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 8.39 4.17 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 0.73 0.00 0.00 1.11 0.00 0.00 31 H 10.04 3.72 0.00 3.22 3.28 0.00 6.04 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.10 0.00 2.15 2.14 0.00 3.20 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.79 0.00 33 K 7.41 4.74 0.00 1.88 1.75 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.45 7.81 34 A 9.02 3.85 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 35 T 8.60 3.71 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 1.22 0.00 0.00 36 K 8.19 3.91 0.00 2.09 2.23 0.00 1.54 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.73 7.81 37 T 8.08 3.87 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 1.20 0.00 0.00 38 E 8.28 4.46 0.00 1.92 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.38 0.00 39 I 8.11 4.21 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.09 0.98 0.00 0.00 40 K 7.96 3.79 0.00 1.93 2.05 0.00 1.34 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.45 7.81 41 N 8.02 4.69 0.00 2.82 2.92 0.00 0.00 5.71 7.26 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 42 A 8.10 4.63 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 43 V 8.14 3.95 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 0.41 0.00 0.00 0.28 0.00 0.00 44 E 8.06 4.00 0.00 2.12 2.16 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 2.54 2.29 0.00 45 T 7.78 4.60 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 1.22 0.00 0.00 46 A 8.36 4.55 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 47 F 8.22 4.43 0.00 2.91 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 48 K 7.86 4.30 0.00 1.82 2.04 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.39 1.40 7.81 49 V 7.51 4.35 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 0.74 0.00 0.00 1.00 0.00 0.00 50 K 8.24 4.91 0.00 1.78 1.60 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.23 1.35 7.81 51 V 8.51 4.53 2.03 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 0.85 0.00 0.00 0.83 0.00 0.00 52 V 8.14 4.37 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 0.92 0.00 0.00 53 K 7.25 4.40 0.00 1.90 1.93 0.00 1.81 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.31 1.22 7.81 54 V 7.58 5.36 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 0.73 0.00 0.00 0.90 0.00 0.00 55 N 8.16 5.05 0.00 2.60 2.68 0.00 0.00 6.71 7.54 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 56 T 8.27 4.70 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 1.21 0.00 0.00 57 L 7.24 4.24 0.00 1.62 1.45 0.98 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.42 5.13 0.00 3.14 3.17 0.00 5.79 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 59 V 8.59 3.97 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 0.58 0.00 0.00 0.83 0.00 0.00 60 R 8.88 3.17 0.00 1.80 2.28 0.00 3.30 0.00 0.00 3.12 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.48 0.00 61 G 8.75 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 0.00 0.00 0.00 62 K 7.21 4.59 0.00 1.73 1.56 0.00 1.27 0.00 0.00 1.28 0.00 0.00 2.66 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.23 1.39 7.81 63 K 8.39 4.65 0.00 1.80 1.75 0.00 1.61 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.37 7.81 64 K 8.25 4.70 0.00 1.64 1.63 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.29 1.36 7.81 65 R 9.78 4.06 0.00 1.88 2.15 0.00 3.56 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.41 0.00 66 L 9.13 4.28 0.00 1.86 1.84 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.75 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 68 R 9.28 5.08 0.00 1.72 1.78 0.00 2.26 0.00 0.00 3.67 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.02 0.00 69 Y 8.41 3.50 0.00 3.09 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 70 L 8.67 4.42 0.00 1.72 1.65 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.86 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 0.00 0.00 0.00 72 K 8.86 4.35 0.00 1.76 1.81 0.00 1.47 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.13 1.31 7.81 73 R 8.13 4.06 0.00 2.18 2.46 0.00 2.83 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 1.45 1.40 0.00 74 P 0.00 4.38 0.00 1.94 2.04 0.00 3.51 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 75 D 7.67 4.79 0.00 2.59 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 76 R 8.03 5.51 0.00 2.63 2.82 0.00 3.39 0.00 0.00 3.37 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.52 0.00 77 K 7.59 4.44 0.00 1.88 1.74 0.00 1.76 0.00 0.00 1.90 0.00 0.00 3.16 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.29 7.81 78 K 8.44 4.69 0.00 2.03 1.93 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.13 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.50 1.37 7.81 79 A 8.26 4.87 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.58 3.86 1.87 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 1.36 1.00 0.00 0.00 81 V 7.91 3.70 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 0.76 0.00 0.00 0.87 0.00 0.00 82 Q 8.59 4.10 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 83 V 9.07 3.76 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 0.70 0.00 0.00 0.93 0.00 0.00 84 A 9.31 4.24 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 85 P 0.00 4.19 0.00 2.04 2.17 0.00 3.90 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 86 G 7.71 3.87 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 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.68 4.51 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.06 0.00 0.00 0.00 0.00 0.00 2.41 2.40 0.00 88 K 9.16 3.68 0.00 2.10 1.87 0.00 1.73 0.00 0.00 1.84 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.43 1.52 7.81 89 I 8.50 3.26 2.13 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.31 1.06 0.00 0.00 90 E 8.22 3.68 0.00 2.16 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 2.30 2.10 0.00 91 A 7.87 4.38 1.30 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 0.00 0.00 0.00 92 L 7.68 4.27 0.00 1.68 1.67 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 93 E 9.08 4.19 0.00 2.10 2.16 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 2.20 2.25 0.00 94 G 7.91 3.38 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 *95 L 7.66 4.12 0.00 1.42 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.