NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.2596 8.1627 120.3456 56.0288 32.5340 174.0270 1 S 3.7359 8.5679 118.7263 58.3772 61.3088 170.2947 2 E 4.2503 8.0892 118.5719 56.9050 30.0679 177.5438 3 L 4.1504 7.4958 120.6781 58.2925 41.7653 178.5652 4 E 3.9665 8.1184 118.7760 59.1461 29.6569 178.7289 5 K 4.0131 8.5856 118.8250 59.3031 32.1280 179.2685 6 A 4.0385 7.9362 120.6587 55.4285 18.2455 179.4725 7 M 4.0837 8.1568 117.3113 58.4938 31.9956 179.1875 8 V 3.6346 7.7067 118.3544 65.9468 31.7770 178.0188 9 A 4.1005 8.1275 120.6591 54.8668 17.7728 179.2797 10 L 4.0513 8.0957 119.0374 58.5404 42.0306 179.3958 11 I 3.9805 7.7381 119.9074 64.2098 36.7951 177.8423 12 D 4.4400 7.7553 117.8466 57.5282 41.3213 178.2509 13 V 3.8066 7.7956 118.2289 65.9185 31.5155 177.5531 14 F 3.5853 7.9684 119.8594 61.6693 38.9890 176.8532 15 H 4.5760 8.3066 115.1781 58.3063 28.2181 177.4840 16 Q 3.8776 8.0925 121.6384 59.0960 29.1455 177.1281 17 Y 4.0642 7.6858 116.2425 59.6484 38.8854 177.9832 18 S 4.0309 7.6578 116.2273 61.5335 62.9909 176.3167 19 G 3.8619 7.6152 106.5976 46.6633 0.0000 174.6600 20 R 3.9204 8.0153 120.7884 58.6367 30.3200 176.2084 21 E 4.7555 8.0321 115.7584 53.7795 32.2334 177.0279 22 G 3.8930 8.7658 109.4491 49.0155 0.0000 174.3966 23 D 4.7770 7.7646 121.4134 54.0368 39.2434 177.7080 24 K 4.6017 7.8067 119.8807 59.2574 32.7605 178.4966 25 H 4.7553 8.2464 115.6200 56.8036 30.2324 173.8502 26 K 4.9121 7.6132 115.5231 56.1766 36.3968 175.2971 27 L 4.8881 8.5668 119.7010 52.8434 44.4897 176.1317 28 K 4.7220 8.5422 124.9972 54.8885 33.7050 177.3300 29 K 3.2070 8.3619 125.8194 60.1889 31.7033 179.2943 30 S 4.0392 7.8652 113.8368 61.3420 62.5323 175.5071 31 E 4.0098 7.9514 121.5281 58.9412 29.4084 178.1781 32 L 3.7474 8.6603 121.7733 57.9127 42.0021 178.8372 33 K 3.8206 7.7325 119.5377 59.5419 32.0913 178.5543 34 E 3.8342 7.7691 117.5392 59.1612 29.4915 179.0589 35 L 2.0000 7.0556 119.8619 57.4187 41.9308 179.2475 36 I 3.7014 7.3584 119.5576 64.4663 36.9021 178.2791 37 N 4.4098 8.7509 117.2721 55.8194 38.4400 176.2813 38 N 4.6644 7.9880 116.7984 55.4073 39.7353 175.7984 39 E 4.2179 7.9999 120.0446 58.7555 30.4341 177.5214 40 L 4.7147 7.1409 118.5584 53.2723 40.4550 176.3954 41 S 4.4206 8.0239 115.3494 61.2395 63.5672 175.8855 42 H 4.8593 7.9862 113.3151 54.8793 31.0984 174.2207 43 F 4.5978 8.6586 121.0489 60.3652 39.4115 174.6208 44 L 4.5543 7.3996 119.0413 52.2348 45.0096 175.0471 45 E 3.8587 8.6411 124.0048 56.2498 29.5179 176.6424 46 E 4.1292 8.6158 125.8395 56.6906 30.2109 176.3108 47 I 4.3446 7.9451 120.5445 60.3018 38.4227 176.2768 48 K 4.4955 8.5162 121.9309 56.3940 33.9685 176.1831 49 E 4.7904 7.6230 117.3983 53.6288 33.5731 176.5110 50 Q 4.1571 8.6086 120.5493 58.5814 28.7617 178.7400 51 E 3.9493 8.1373 118.8110 59.4506 29.5433 179.1825 52 V 3.5684 7.4354 117.7957 65.7633 31.5644 178.2224 53 V 3.5538 7.6749 117.5189 65.9134 31.4295 177.3768 54 D 4.3104 8.0124 118.0005 57.0103 40.7315 178.1666 55 K 3.9504 8.0959 120.4438 59.4140 32.1454 179.0466 56 V 3.7019 7.8055 118.6226 66.2383 30.5958 177.9447 57 M 3.9657 8.1320 118.3920 57.8546 31.4872 178.1978 58 E 4.4380 7.7892 119.2386 59.5616 29.8361 178.5888 59 T 4.1436 7.4019 113.3142 65.9286 68.8482 176.2732 60 L 4.2705 8.3048 120.9500 56.1569 43.6852 177.0873 61 D 4.6821 9.3343 120.7108 53.3328 37.5663 176.3854 62 E 3.9730 9.1955 123.1301 59.4937 30.1767 178.7135 63 D 4.5291 8.3276 114.9799 52.9923 40.0402 176.1368 64 G 3.9997 7.9593 108.2341 46.6959 0.0000 174.1064 65 D 4.6321 8.8292 117.1991 52.1933 40.2921 177.1013 66 G 3.9783 10.0164 109.8673 45.6273 0.0000 172.7462 67 E 4.8784 9.6606 119.5541 54.4947 33.7220 174.6544 68 C 4.8091 8.7364 119.5982 57.1447 31.6352 173.5434 69 D 5.0328 9.3920 124.3394 53.2793 42.0584 177.1615 70 F 3.3755 9.1412 121.0392 61.7533 38.7169 176.9331 71 Q 4.0420 8.1450 117.0014 59.4472 28.8131 177.5809 72 E 4.1587 8.1898 119.0936 59.5033 29.4502 179.0526 73 F 4.1982 8.9057 121.0303 61.2508 39.4401 177.0887 74 M 4.1275 8.1606 118.5565 58.3926 31.8710 178.5345 75 A 4.2310 7.7253 121.1144 54.3264 18.5425 179.3819 76 F 3.9354 7.8698 118.9424 61.4539 39.3981 177.3969 77 V 3.3404 7.2098 117.9070 65.6644 31.1177 178.2177 78 S 4.0744 7.5493 112.8785 61.5318 62.6562 176.5026 79 M 3.9300 7.4016 120.9665 58.1331 32.0144 178.6640 80 V 3.5029 7.1258 118.2485 65.9826 31.5903 178.1419 81 T 3.9032 7.7176 115.6827 66.9385 68.1277 176.4327 82 T 3.8747 7.6953 117.3667 66.7187 68.5606 176.2725 83 A 4.0111 7.8920 122.5556 55.3394 17.6412 179.1650 84 C 4.4121 8.2433 117.2092 63.0135 31.4062 175.2551 85 H 4.6436 7.8617 119.1090 59.2645 29.4930 176.4807 86 E 4.0088 8.1361 119.6703 59.3084 29.5515 178.3634 87 F 4.3508 7.7885 116.3991 59.5537 40.4346 177.0110 88 F 4.6722 9.4520 121.6281 56.0194 36.0007 176.1219 89 E 4.0600 7.6486 119.5691 55.9647 29.7081 175.3028 90 H 4.1732 9.0516 129.9313 59.6456 30.2959 175.5290 *91 E 4.1630 8.0241 118.4443 56.0645 30.2542 177.2981 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 0 M 8.16 4.26 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 1 S 8.57 3.74 0.00 4.08 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 2 E 8.09 4.25 0.00 2.01 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 2.32 2.46 0.00 3 L 7.50 4.15 0.00 1.84 1.71 0.93 0.79 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 4 E 8.12 3.97 0.00 2.08 1.93 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 2.39 2.41 0.00 5 K 8.59 4.01 0.00 1.92 1.85 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.46 7.81 6 A 7.94 4.04 1.33 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 0.00 0.00 7 M 8.16 4.08 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.57 0.00 8 V 7.71 3.63 2.25 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 1.00 0.00 0.00 1.00 0.00 0.00 9 A 8.13 4.10 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.10 4.05 0.00 2.07 1.80 1.01 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.74 3.98 2.15 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.50 1.04 0.00 0.00 12 D 7.76 4.44 0.00 2.74 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 13 V 7.80 3.81 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 1.34 0.00 0.00 1.16 0.00 0.00 14 F 7.97 3.59 0.00 2.78 2.94 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 15 H 8.31 4.58 0.00 3.49 3.41 0.00 5.70 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.09 3.88 0.00 2.01 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.85 0.00 0.00 0.00 0.00 0.00 1.83 2.24 0.00 17 Y 7.69 4.06 0.00 2.80 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 18 S 7.66 4.03 0.00 3.86 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 0.00 19 G 7.62 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 20 R 8.02 3.92 0.00 1.65 2.02 0.00 3.21 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.53 0.00 21 E 8.03 4.76 0.00 2.18 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 2.21 2.20 0.00 22 G 8.77 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 0.00 0.00 0.00 23 D 7.76 4.78 0.00 2.86 2.87 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 24 K 7.81 4.60 0.00 1.81 1.95 0.00 1.82 0.00 0.00 2.31 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.60 7.81 25 H 8.25 4.76 0.00 3.14 3.42 0.00 5.89 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 7.61 4.91 0.00 1.94 1.82 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.46 7.81 27 L 8.57 4.89 0.00 1.84 1.47 0.20 0.33 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 28 K 8.54 4.72 0.00 1.97 1.64 0.00 1.75 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.42 7.81 29 K 8.36 3.21 0.00 1.95 2.07 0.00 1.34 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.46 7.81 30 S 7.87 4.04 0.00 3.90 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 31 E 7.95 4.01 0.00 2.20 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 0.00 2.31 2.36 0.00 32 L 8.66 3.75 0.00 1.63 1.74 0.83 0.13 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 33 K 7.73 3.82 0.00 1.85 1.89 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.44 7.81 34 E 7.77 3.83 0.00 2.36 2.26 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 2.48 2.51 0.00 35 L 7.06 2.00 0.00 0.89 1.40 0.25 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.36 3.70 1.77 0.00 0.00 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 1.46 0.97 0.91 0.00 0.00 37 N 8.75 4.41 0.00 2.67 2.86 0.00 0.00 7.03 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 N 7.99 4.66 0.00 2.81 3.26 0.00 0.00 7.47 7.31 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 39 E 8.00 4.22 0.00 1.95 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 0.00 2.49 2.56 0.00 40 L 7.14 4.71 0.00 1.83 1.69 0.89 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.02 4.42 0.00 3.98 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 42 H 7.99 4.86 0.00 3.12 3.37 0.00 5.90 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 F 8.66 4.60 0.00 2.88 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 44 L 7.40 4.55 0.00 1.13 1.32 0.70 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 45 E 8.64 3.86 0.00 1.92 1.86 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 2.28 2.39 0.00 46 E 8.62 4.13 0.00 1.96 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 2.46 2.51 0.00 47 I 7.95 4.34 2.04 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.75 0.97 0.00 0.00 48 K 8.52 4.50 0.00 1.71 1.82 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.22 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.36 7.81 49 E 7.62 4.79 0.00 1.95 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 2.28 2.29 0.00 50 Q 8.61 4.16 0.00 2.05 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 51 E 8.14 3.95 0.00 2.18 2.20 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 2.35 2.36 0.00 52 V 7.44 3.57 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 0.93 0.00 0.00 0.92 0.00 0.00 53 V 7.67 3.55 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 0.91 0.00 0.00 0.93 0.00 0.00 54 D 8.01 4.31 0.00 2.76 2.75 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 55 K 8.10 3.95 0.00 1.88 1.92 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.44 7.81 56 V 7.81 3.70 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 0.81 0.00 0.00 0.99 0.00 0.00 57 M 8.13 3.97 0.00 2.06 2.25 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.80 0.00 58 E 7.79 4.44 0.00 1.98 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 2.33 2.36 0.00 59 T 7.40 4.14 4.41 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 1.24 0.00 0.00 60 L 8.30 4.27 0.00 1.75 1.66 1.02 1.29 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 61 D 9.33 4.68 0.00 2.80 2.57 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 62 E 9.20 3.97 0.00 2.08 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 2.49 2.55 0.00 63 D 8.33 4.53 0.00 2.80 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 64 G 7.96 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 65 D 8.83 4.63 0.00 2.80 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 66 G 10.02 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 67 E 9.66 4.88 0.00 1.86 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 2.24 2.47 0.00 68 C 8.74 4.81 0.00 3.11 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 69 D 9.39 5.03 0.00 2.69 2.71 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 70 F 9.14 3.38 0.00 2.87 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 71 Q 8.14 4.04 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.51 0.00 72 E 8.19 4.16 0.00 2.27 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 0.00 2.63 2.43 0.00 73 F 8.91 4.20 0.00 3.21 3.18 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 74 M 8.16 4.13 0.00 2.17 2.39 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 2.85 0.00 75 A 7.73 4.23 1.33 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 0.00 0.00 76 F 7.87 3.94 0.00 2.89 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 77 V 7.21 3.34 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 1.08 0.00 0.00 0.70 0.00 0.00 78 S 7.55 4.07 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 79 M 7.40 3.93 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.46 0.00 80 V 7.13 3.50 1.66 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 0.76 0.00 0.00 -0.09 0.00 0.00 81 T 7.72 3.90 4.34 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 1.24 0.00 0.00 82 T 7.70 3.87 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 1.17 0.00 0.00 83 A 7.89 4.01 1.45 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 84 C 8.24 4.41 0.00 3.30 3.29 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 85 H 7.86 4.64 0.00 3.18 3.52 0.00 5.81 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.14 4.01 0.00 1.88 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 1.85 2.22 0.00 87 F 7.79 4.35 0.00 3.38 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 88 F 9.45 4.67 0.00 3.29 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 89 E 7.65 4.06 0.00 1.95 1.89 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 2.39 2.29 0.00 90 H 9.05 4.17 0.00 3.22 3.37 0.00 5.81 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 *91 E 8.02 4.16 0.00 1.77 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.