NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.3255 8.4449 118.8017 56.3656 30.9231 174.1738 4 Q 4.5436 8.0922 117.4378 52.6267 31.5431 173.3975 5 P 4.4187 0.0000 0.0000 62.3043 32.8603 176.4863 6 I 3.8686 7.6892 120.5393 64.7871 37.5948 176.7001 7 F 4.6429 7.5239 119.5569 57.7599 42.2638 172.7325 8 T 4.9171 7.1600 118.4321 61.0485 70.8001 172.0313 9 T 4.3256 8.2791 119.5918 61.7482 71.8249 171.6463 10 R 5.1586 8.2363 122.3299 54.4325 32.5709 175.4021 11 A 4.3826 8.3975 122.4683 51.2897 23.4635 175.0074 12 H 4.2680 8.6654 117.6557 55.5129 30.2023 174.7672 13 V 4.6442 8.1322 122.7911 61.4501 33.9250 174.5833 14 F 5.4184 8.8570 124.8355 56.5978 44.3523 172.6824 15 Q 5.7212 8.8591 115.9050 57.3525 31.9603 172.7618 16 I 4.9570 7.8666 118.9893 58.7513 40.2499 176.3236 *23 N 4.4219 8.2550 119.1440 52.7604 39.2485 173.7824 24 W 4.8156 8.5328 121.5559 58.3267 30.1034 175.7386 25 V 4.7101 9.1595 121.5431 59.3674 34.2497 172.8233 26 P 4.4566 0.0000 0.0000 63.4146 31.2250 175.8028 27 A 4.7953 9.0607 124.6330 51.4961 20.9674 176.6710 28 S 4.7621 7.4901 109.9707 56.0952 65.3202 175.1825 29 K 4.0897 8.9842 123.0668 57.8359 31.9383 176.2361 30 Q 4.5649 6.8259 114.2873 55.7147 32.5302 172.6761 31 A 3.8554 8.5858 121.5413 52.2747 18.8598 177.5936 32 V 4.5097 8.0463 115.1414 59.3047 36.4228 175.2121 33 T 4.5476 8.4098 118.5889 63.7715 69.1871 174.4910 34 V 4.5670 9.2938 125.8416 61.3428 34.7256 174.4881 35 S 5.3131 9.0944 122.0016 57.3936 68.0928 172.2164 36 Y 5.0380 8.7784 119.3489 56.6222 40.2648 175.1200 37 F 5.2235 9.0887 120.5019 56.1416 44.3856 172.8848 38 Y 4.4234 8.7510 122.1054 56.4366 39.5743 175.6608 39 D 4.3620 9.1062 129.0376 52.4361 39.8053 176.5828 40 V 3.1766 7.6777 123.4783 65.6732 31.9549 177.3926 41 T 3.9180 7.6939 107.8783 64.9832 68.5364 175.5865 42 R 3.9018 7.6593 119.5699 55.8175 30.8120 176.1737 43 N 3.8606 7.6265 115.2281 53.1426 36.1158 171.8380 44 S 4.5745 6.5762 112.3036 58.0875 67.3739 174.2883 45 Y 5.1321 8.5697 116.8735 56.4831 40.3401 175.2214 46 R 5.0746 9.1261 122.8161 54.7258 34.3734 173.6704 47 I 4.5540 8.5596 126.6485 60.2807 38.9762 174.8170 48 I 5.7899 9.1911 127.5163 58.5521 41.1658 174.5449 49 S 4.9902 8.6069 120.1178 56.8707 65.7727 172.9137 50 V 4.8858 8.3270 118.8981 59.9797 35.4943 175.3507 51 D 4.2508 9.2511 121.3982 54.5870 43.4265 175.0789 52 G 3.9469 8.4586 118.6527 46.9584 0.0000 173.1760 53 A 4.4204 8.6830 128.1555 51.7563 18.9884 176.9661 54 K 4.6111 7.7886 116.7062 55.0025 35.2914 175.8531 55 V 4.4522 8.2158 120.5985 60.2627 31.8672 175.5493 56 I 4.1933 8.3069 119.6744 62.2656 38.7843 176.2771 57 I 4.3315 7.6039 123.3143 58.7632 40.5681 175.4977 58 N 5.1529 8.3478 126.1315 52.4813 38.2422 173.4076 59 S 5.1538 8.5006 116.1569 56.3261 65.1749 173.7574 60 T 4.6061 8.6707 124.2625 63.2439 69.1499 174.3761 61 I 4.1666 8.3223 129.0623 60.5924 37.5625 175.7783 62 T 4.6161 8.2911 117.2282 58.8451 71.2914 173.8207 63 P 4.2617 0.0000 0.0000 65.8169 31.2642 177.8279 64 N 4.5861 8.1665 112.4425 54.4472 37.4924 174.7187 65 M 4.7009 7.8139 119.4411 54.7949 33.3797 175.5246 66 T 4.7364 8.3410 110.1793 59.9900 71.9962 173.4617 67 F 4.6785 8.3283 125.5512 56.8205 40.3012 174.3668 68 T 4.1031 8.0319 123.6789 62.7519 69.8839 174.2314 69 K 4.4903 8.4856 128.2627 55.4679 31.9024 176.4989 70 T 4.1080 8.7832 118.2520 64.1828 69.5580 174.3725 71 S 5.1050 7.7284 117.7721 56.0600 65.1949 173.0741 72 Q 4.2708 8.7350 116.1161 58.6324 29.1855 176.3260 73 K 4.8951 8.1883 116.8795 55.5926 34.6494 175.3822 74 F 5.8623 7.8698 122.2178 55.9032 42.8147 173.5177 75 G 4.4862 8.3156 111.7028 44.6928 0.0000 170.4550 76 Q 5.4449 7.9026 117.2449 55.2534 32.8975 173.2324 77 W 5.2052 9.2072 113.9065 55.8023 31.5720 173.2743 78 A 4.9044 9.0526 123.3827 50.6728 21.0980 176.3687 79 D 4.8679 8.8198 119.9995 52.5713 42.9385 176.5533 80 S 4.2955 8.9591 123.0010 61.3640 63.2272 176.3592 81 R 3.9884 8.2760 119.0751 58.3830 29.9373 176.5411 82 A 4.4535 8.7217 118.6539 50.9309 20.6948 175.5112 83 N 4.0837 7.7966 113.6184 53.3788 37.6837 172.9807 84 T 4.1591 6.7588 111.0401 61.3537 71.6831 172.3786 85 V 4.5217 7.7096 126.2947 61.1524 34.0467 174.0572 86 F 5.1709 8.8551 126.7310 55.6934 41.0644 175.0079 87 G 4.2253 9.1842 110.1525 44.3215 0.0000 171.7083 88 L 5.0426 7.8942 121.1301 52.4613 46.5165 175.7052 89 G 4.4502 9.0970 110.6573 44.7203 0.0000 172.6069 90 F 5.2430 9.3277 125.7774 56.0177 40.5638 176.7806 91 S 4.5147 8.9478 114.5040 59.8010 63.5687 174.8659 92 S 4.7301 7.7596 115.3225 56.2718 66.7625 174.8269 93 E 4.1118 8.8270 122.7416 59.2620 29.2236 179.2968 94 L 3.9141 7.8954 120.1773 58.3643 42.2583 178.6386 95 Q 4.0621 7.7926 117.6304 58.9515 28.6731 178.9093 96 L 2.4702 7.1726 120.9161 58.0488 42.0215 178.9574 97 T 3.8277 7.7732 115.4147 66.7076 68.4376 176.4970 98 K 3.7211 7.9487 120.0209 59.6054 32.2606 179.2418 99 F 3.5028 8.2238 120.3906 60.7842 39.1134 177.0865 100 A 3.6124 7.9593 120.7951 54.8801 18.1953 179.4861 101 E 3.7535 8.1503 117.2814 59.5079 29.5290 179.6298 102 K 3.3966 7.3795 118.4148 58.9982 31.8060 179.0415 103 F 3.5121 7.3409 120.4251 61.1401 39.2631 176.9795 104 Q 3.9544 7.8010 118.8018 59.0989 28.8083 177.3949 105 E 3.7103 8.2551 120.7074 59.5054 29.3464 178.8874 106 V 2.8909 7.3806 116.8169 65.8207 31.7148 177.8869 107 R 3.9498 7.6467 117.4775 59.3624 29.6366 178.8424 108 E 3.9022 8.1976 118.0554 59.4679 29.2568 179.4068 109 A 3.9530 7.9257 119.4507 54.7064 18.3439 179.3653 110 A 4.2477 7.5179 119.0060 55.3869 18.6305 177.7117 111 R 4.0697 7.4660 119.2298 56.9093 30.2451 176.5027 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 E 8.44 4.33 0.00 2.12 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 0.00 2.21 2.39 0.00 4 Q 8.09 4.54 0.00 2.10 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 7.03 0.00 0.00 0.00 0.00 0.00 2.26 2.38 0.00 5 P 0.00 4.42 0.00 1.79 1.24 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.19 0.00 6 I 7.69 3.87 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 1.37 1.00 0.82 0.00 0.00 7 F 7.52 4.64 0.00 2.74 2.58 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 0.00 8 T 7.16 4.92 4.07 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 1.01 0.00 0.00 9 T 8.28 4.33 4.15 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 1.61 0.00 0.00 10 R 8.24 5.16 0.00 1.70 1.76 0.00 3.29 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 11 A 8.40 4.38 0.57 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 12 H 8.67 4.27 0.00 3.27 2.90 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 13 V 8.13 4.64 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 0.97 0.00 0.00 0.81 0.00 0.00 14 F 8.86 5.42 0.00 2.90 3.25 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 15 Q 8.86 5.72 0.00 2.14 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.10 0.00 16 I 7.87 4.96 1.54 0.00 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.59 0.68 0.00 0.00 *23 N 8.25 4.42 0.00 2.74 2.71 0.00 0.00 6.89 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 24 W 8.53 4.82 0.00 3.26 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 25 V 9.16 4.71 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 0.89 0.00 0.00 1.01 0.00 0.00 26 P 0.00 4.46 0.00 1.97 1.97 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.41 0.00 27 A 9.06 4.80 1.26 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 28 S 7.49 4.76 0.00 3.92 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 29 K 8.98 4.09 0.00 1.76 1.89 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.39 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.50 7.81 30 Q 6.83 4.56 0.00 1.98 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.85 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 31 A 8.59 3.86 1.07 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 0.00 0.00 32 V 8.05 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 0.71 0.00 0.00 0.85 0.00 0.00 33 T 8.41 4.55 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 1.22 0.00 0.00 34 V 9.29 4.57 2.17 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 1.19 0.00 0.00 0.89 0.00 0.00 35 S 9.09 5.31 0.00 3.82 3.22 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 36 Y 8.78 5.04 0.00 2.91 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 F 9.09 5.22 0.00 2.97 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 38 Y 8.75 4.42 0.00 2.84 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 39 D 9.11 4.36 0.00 2.53 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.68 3.18 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 0.88 0.00 0.00 0.94 0.00 0.00 41 T 7.69 3.92 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 1.15 0.00 0.00 42 R 7.66 3.90 0.00 1.74 1.97 0.00 3.28 0.00 0.00 3.20 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.54 0.00 43 N 7.63 3.86 0.00 2.82 2.85 0.00 0.00 6.75 7.08 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 44 S 6.58 4.57 0.00 3.87 3.93 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 45 Y 8.57 5.13 0.00 2.98 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 46 R 9.13 5.07 0.00 1.83 1.76 0.00 3.13 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 47 I 8.56 4.55 1.82 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 -0.11 0.93 0.00 0.00 48 I 9.19 5.79 2.18 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 1.26 1.61 0.95 0.00 0.00 49 S 8.61 4.99 0.00 3.85 3.62 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 50 V 8.33 4.89 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 0.75 0.00 0.00 0.94 0.00 0.00 51 D 9.25 4.25 0.00 2.68 2.48 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 52 G 8.46 3.95 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 0.00 0.00 0.00 53 A 8.68 4.42 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 54 K 7.79 4.61 0.00 1.87 1.89 0.00 1.29 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.33 7.81 55 V 8.22 4.45 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 0.81 0.00 0.00 1.03 0.00 0.00 56 I 8.31 4.19 1.91 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 1.39 0.61 0.96 0.00 0.00 57 I 7.60 4.33 1.87 0.00 0.00 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 0.70 0.72 0.71 0.00 0.00 58 N 8.35 5.15 0.00 2.70 2.74 0.00 0.00 7.04 7.63 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 59 S 8.50 5.15 0.00 4.31 4.05 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 0.00 0.00 0.00 0.00 60 T 8.67 4.61 4.32 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 1.26 0.00 0.00 61 I 8.32 4.17 1.65 0.00 0.00 0.37 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 0.18 0.06 0.00 0.00 62 T 8.29 4.62 4.35 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 0.00 0.00 0.00 1.27 0.00 0.00 63 P 0.00 4.26 0.00 2.10 2.19 0.00 3.72 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 2.06 2.11 0.00 64 N 8.17 4.59 0.00 2.90 3.00 0.00 0.00 6.00 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 M 7.81 4.70 0.00 2.47 2.43 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.71 0.00 66 T 8.34 4.74 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 1.30 0.00 0.00 67 F 8.33 4.68 0.00 1.51 2.64 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 0.00 0.00 0.00 68 T 8.03 4.10 4.17 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 1.19 0.00 0.00 69 K 8.49 4.49 0.00 1.80 1.77 0.00 1.82 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.51 7.81 70 T 8.78 4.11 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 1.43 0.00 0.00 71 S 7.73 5.11 0.00 3.99 3.89 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 72 Q 8.74 4.27 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 7.45 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 73 K 8.19 4.90 0.00 1.76 2.15 0.00 1.68 0.00 0.00 1.81 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.42 7.81 74 F 7.87 5.86 0.00 2.98 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 75 G 8.32 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.90 5.44 0.00 2.52 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.65 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 77 W 9.21 5.21 0.00 3.64 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 A 9.05 4.90 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 79 D 8.82 4.87 0.00 3.18 2.81 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 80 S 8.96 4.30 0.00 3.97 3.95 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 81 R 8.28 3.99 0.00 1.83 2.16 0.00 3.30 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 82 A 8.72 4.45 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 83 N 7.80 4.08 0.00 2.82 2.80 0.00 0.00 6.91 6.98 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 84 T 6.76 4.16 4.03 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 0.91 0.00 0.00 85 V 7.71 4.52 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 0.94 0.00 0.00 0.77 0.00 0.00 86 F 8.86 5.17 0.00 1.51 1.81 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 87 G 9.18 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 0.00 0.00 0.00 0.00 88 L 7.89 5.04 0.00 1.19 0.75 0.75 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 89 G 9.10 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 0.00 0.00 0.00 0.00 90 F 9.33 5.24 0.00 3.02 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 91 S 8.95 4.51 0.00 4.08 4.06 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 92 S 7.76 4.73 0.00 4.07 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 93 E 8.83 4.11 0.00 2.05 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 2.57 2.40 0.00 94 L 7.90 3.91 0.00 1.69 1.68 0.96 0.81 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 95 Q 7.79 4.06 0.00 2.36 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.56 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 96 L 7.17 2.47 0.00 1.38 1.70 1.08 0.93 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 97 T 7.77 3.83 4.31 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 1.26 0.00 0.00 98 K 7.95 3.72 0.00 2.00 1.82 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.79 1.67 7.81 99 F 8.22 3.50 0.00 3.34 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 0.00 100 A 7.96 3.61 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.15 3.75 0.00 1.93 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 0.00 2.23 2.36 0.00 102 K 7.38 3.40 0.00 0.79 0.74 0.00 0.79 0.00 0.00 0.93 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.56 0.21 7.81 103 F 7.34 3.51 0.00 2.78 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 0.00 104 Q 7.80 3.95 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.51 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 105 E 8.26 3.71 0.00 1.86 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 0.00 2.07 2.16 0.00 106 V 7.38 2.89 1.88 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 0.52 0.00 0.00 0.45 0.00 0.00 107 R 7.65 3.95 0.00 2.01 1.95 0.00 3.66 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.72 0.00 108 E 8.20 3.90 0.00 2.06 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 2.29 0.00 109 A 7.93 3.95 1.12 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 0.00 0.00 110 A 7.52 4.25 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 0.00 111 R 7.47 4.07 0.00 1.96 1.90 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.