NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.2270 8.3193 115.2728 57.8813 63.7668 173.4798 3 D 4.1640 7.7256 118.5711 51.0128 40.7621 174.6996 4 F 4.7388 7.9304 118.2289 57.3566 40.9607 176.6347 5 N 5.4115 8.8421 118.7462 51.2787 39.4832 173.3581 6 L 5.4273 8.1261 118.5292 53.7048 46.7708 175.1740 7 V 4.7386 9.1300 122.8948 59.9128 34.1432 174.5322 8 G 3.2581 8.7432 113.5277 43.6401 0.0000 171.7529 9 V 4.1860 8.2193 126.2472 61.9415 32.9439 174.6994 10 I 4.7363 8.7741 130.2576 59.6389 39.2582 174.8780 11 R 4.6452 8.9847 129.6227 55.9715 31.2904 175.6742 12 V 5.4064 8.9302 122.1955 58.5236 35.2481 172.9262 *14 P 4.5600 0.0000 0.0000 63.5027 31.9324 176.9578 15 T 4.1930 8.3474 115.8305 64.6081 67.8987 174.4080 16 D 4.7802 7.8393 118.7363 51.6994 44.4718 173.6814 17 P 4.3698 0.0000 0.0000 66.0704 31.3887 177.3902 18 D 4.4730 8.5404 118.4499 56.8309 40.9130 177.3355 19 V 3.3571 7.2140 115.2659 60.9040 32.1229 175.7864 20 N 4.5547 8.6836 121.0430 52.8940 39.5811 175.7395 21 L 3.9450 8.4149 128.4916 58.2375 41.6687 178.8312 22 D 4.5285 8.2170 118.2551 57.6725 40.7080 178.7496 23 E 4.0635 8.0635 118.9967 58.7005 29.8097 178.2151 24 L 3.9139 7.9383 120.6609 58.2248 42.2813 178.9072 25 E 4.2220 8.7269 117.8302 59.2883 29.1893 178.6108 26 E 3.9794 7.6774 118.6595 59.0399 29.8471 178.6555 27 K 4.0932 7.8447 118.1517 59.3788 32.1856 179.0135 28 L 3.7591 7.7580 119.0270 57.9132 41.3472 179.6696 29 K 4.1508 8.4190 117.9709 58.5257 32.1215 177.4302 30 K 4.4436 7.9852 117.6636 56.3007 32.6046 176.1938 31 V 4.1820 8.0585 116.8441 63.3135 31.6266 175.2716 32 I 3.9910 7.5985 121.0508 60.8443 37.6188 174.8718 33 P 4.2300 0.0000 0.0000 63.2969 31.6090 175.6397 34 E 4.1032 9.5097 115.1065 57.1581 29.0608 175.4101 35 K 4.1532 8.8703 119.9318 58.2275 32.6787 176.0485 36 Y 5.0081 8.0378 115.1621 56.6810 40.2316 175.7717 37 G 3.8836 8.0753 109.8338 44.9942 0.0000 172.2878 38 L 4.8921 8.1689 122.0040 53.9464 43.1572 175.7365 39 A 4.2887 8.8985 129.4819 53.8994 18.9241 177.0938 40 K 4.1694 7.2772 112.3311 56.7571 35.3399 173.7046 41 V 4.7213 8.3656 120.0453 61.0286 33.5855 174.1827 42 E 4.7438 9.3105 126.0172 54.5047 33.1604 175.2552 43 R 5.5845 8.6959 119.7621 53.8175 32.1512 175.1001 44 E 4.4962 8.5465 123.1237 54.2185 31.5416 174.3815 45 P 4.7105 0.0000 0.0000 62.8168 31.6106 175.3375 46 I 4.0489 7.9196 122.4988 60.3773 38.6997 175.6158 47 A 4.0830 7.6913 120.7802 53.0080 21.2992 175.8508 48 F 3.7372 9.1022 116.9564 58.7310 36.3410 177.1187 49 G 4.1153 8.5221 109.8311 45.6258 0.0000 174.9348 50 L 4.3936 7.6652 120.0555 55.0073 42.7329 176.6655 51 V 4.9990 8.2554 120.0560 60.1865 35.1809 173.8943 52 A 4.8921 8.8105 121.8026 50.1098 22.7730 174.9142 53 L 4.9772 8.6203 119.3260 52.9289 44.3004 175.7781 54 K 4.8876 9.4405 124.7622 54.6930 34.7549 175.0548 55 F 4.8662 9.2179 124.5800 56.2810 41.4666 175.0993 56 Y 4.6843 9.1784 122.9525 56.6532 37.5212 174.0567 57 V 4.3444 8.8557 124.3142 62.4710 33.4406 174.2228 58 L 4.9378 8.7939 128.0180 53.8300 43.3677 175.7403 59 G 4.5344 9.7366 112.1086 45.7116 0.0000 171.1622 60 R 4.9234 8.0600 118.2253 54.7013 34.5561 175.7117 61 D 4.5824 8.5224 122.2108 51.6324 39.7738 174.9498 62 E 4.6713 7.5009 119.9600 54.4974 32.1824 175.5303 63 E 4.0606 8.6608 120.5025 58.0040 29.9507 176.9070 64 G 3.9696 9.1013 113.1487 45.0941 0.0000 172.7371 65 Y 4.3794 7.3933 116.8569 56.0587 39.4990 175.5174 66 S 4.3829 8.8379 119.5784 56.1170 65.2391 174.8104 67 F 4.1791 8.6942 127.7159 60.4978 38.5878 177.1133 68 D 4.3711 8.2465 118.3673 57.6214 40.7523 178.5989 69 E 3.8973 7.9094 119.0091 59.2865 29.4103 179.6442 70 V 3.1267 7.2756 117.6798 65.4369 31.5776 177.8652 71 A 3.5955 7.8303 120.6040 55.1615 18.0547 179.2818 72 E 3.8735 8.0777 116.1461 59.5394 29.8146 179.3268 73 K 4.0341 7.6370 119.0741 59.5140 32.2111 178.8698 74 F 4.4912 7.7435 118.0273 60.7524 38.5968 177.3335 75 E 4.0128 8.1368 117.1760 59.4046 29.2618 178.8270 76 E 4.1926 7.8908 117.0883 57.4607 30.3805 177.5039 77 V 3.7195 7.2775 118.6854 62.6451 32.2254 174.6793 78 E 4.1318 8.4007 125.5557 57.3597 30.4471 176.4758 79 N 4.3595 8.9931 121.0489 53.4582 35.8393 173.8376 80 V 4.1304 6.9725 118.0387 60.8736 31.2744 175.0509 81 E 4.0681 8.8521 129.5005 58.6674 30.1115 176.6674 82 S 4.8071 7.2682 110.5507 57.8785 65.6622 175.8355 83 A 5.2193 8.6750 121.9995 50.4227 21.7681 175.0188 84 E 4.7017 9.4649 124.1756 53.9776 33.0074 175.0873 85 V 3.9262 8.5291 127.1389 62.2842 31.5770 175.2345 86 E 4.3582 9.5065 128.3470 57.9752 29.9225 176.1884 87 T 4.8328 7.4789 108.7331 59.9098 72.3914 172.1369 88 V 4.8024 8.3628 123.4004 60.3022 34.0957 174.8050 89 S 4.8659 8.7653 117.7757 57.1977 67.7781 173.2851 90 R 5.4265 8.7873 118.2957 54.7993 31.1620 176.3266 91 I 4.3000 7.8658 113.0569 61.3992 37.8854 174.6818 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 S 8.32 4.23 0.00 3.77 3.82 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 3 D 7.73 4.16 0.00 2.86 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 4 F 7.93 4.74 0.00 3.13 3.19 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 5 N 8.84 5.41 0.00 2.83 2.95 0.00 0.00 6.64 6.47 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 6 L 8.13 5.43 0.00 1.83 1.95 1.07 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 7 V 9.13 4.74 2.14 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 0.80 0.00 0.00 1.01 0.00 0.00 8 G 8.74 3.26 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 0.00 9 V 8.22 4.19 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.28 0.00 0.00 10 I 8.77 4.74 2.07 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.44 1.06 0.00 0.00 11 R 8.98 4.65 0.00 1.86 1.81 0.00 3.03 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 12 V 8.93 5.41 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 0.78 0.00 0.00 1.25 0.00 0.00 *14 P 0.00 4.56 0.00 1.97 2.03 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 15 T 8.35 4.19 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 1.26 0.00 0.00 16 D 7.84 4.78 0.00 2.66 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.22 2.19 0.00 3.83 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 18 D 8.54 4.47 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.21 3.36 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 0.71 0.00 0.00 0.93 0.00 0.00 20 N 8.68 4.55 0.00 2.86 2.75 0.00 0.00 7.19 6.66 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 21 L 8.41 3.94 0.00 1.68 1.67 0.92 1.14 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 22 D 8.22 4.53 0.00 2.75 2.74 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 0.00 0.00 0.00 23 E 8.06 4.06 0.00 2.03 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 0.00 2.37 2.36 0.00 24 L 7.94 3.91 0.00 2.00 1.76 0.97 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.73 4.22 0.00 2.32 2.23 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 2.44 2.35 0.00 26 E 7.68 3.98 0.00 2.37 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 0.00 2.34 2.51 0.00 27 K 7.84 4.09 0.00 1.99 1.82 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.65 1.62 7.81 28 L 7.76 3.76 0.00 1.37 0.31 0.63 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 29 K 8.42 4.15 0.00 2.08 2.13 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.66 7.81 30 K 7.99 4.44 0.00 1.77 1.99 0.00 1.74 0.00 0.00 1.66 0.00 0.00 3.11 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.48 7.81 31 V 8.06 4.18 2.36 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 0.89 0.00 0.00 1.06 0.00 0.00 32 I 7.60 3.99 1.96 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.98 0.00 0.00 33 P 0.00 4.23 0.00 2.53 2.17 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.10 0.00 34 E 9.51 4.10 0.00 2.05 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 0.00 2.31 2.34 0.00 35 K 8.87 4.15 0.00 1.61 1.23 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.63 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.78 1.01 7.81 36 Y 8.04 5.01 0.00 2.91 3.12 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 37 G 8.08 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 0.00 0.00 0.00 38 L 8.17 4.89 0.00 1.71 1.63 1.17 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.90 4.29 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 40 K 7.28 4.17 0.00 1.68 1.78 0.00 1.19 0.00 0.00 1.31 0.00 0.00 2.60 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.74 0.86 7.81 41 V 8.37 4.72 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 0.08 0.00 0.00 0.71 0.00 0.00 42 E 9.31 4.74 0.00 1.97 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 2.35 2.28 0.00 43 R 8.70 5.58 0.00 1.65 1.86 0.00 3.20 0.00 0.00 3.90 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.34 0.00 44 E 8.55 4.50 0.00 2.03 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 0.00 2.31 2.33 0.00 45 P 0.00 4.71 0.00 2.03 2.00 0.00 3.64 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 2.00 2.08 0.00 46 I 7.92 4.05 2.01 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 1.24 0.54 0.94 0.00 0.00 47 A 7.69 4.08 0.87 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 48 F 9.10 3.74 0.00 3.25 3.10 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 49 G 8.52 4.12 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 0.00 50 L 7.67 4.39 0.00 1.85 1.65 0.96 0.89 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 51 V 8.26 5.00 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 0.70 0.00 0.00 0.96 0.00 0.00 52 A 8.81 4.89 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 53 L 8.62 4.98 0.00 1.67 1.38 0.96 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 54 K 9.44 4.89 0.00 1.76 1.58 0.00 1.85 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.29 1.36 7.81 55 F 9.22 4.87 0.00 3.15 3.12 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 56 Y 9.18 4.68 0.00 3.02 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 57 V 8.86 4.34 2.22 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 1.17 0.00 0.00 1.04 0.00 0.00 58 L 8.79 4.94 0.00 0.68 0.44 0.71 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 59 G 9.74 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.06 4.92 0.00 0.67 1.25 0.00 3.01 0.00 0.00 2.68 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.91 0.00 61 D 8.52 4.58 0.00 2.61 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 62 E 7.50 4.67 0.00 2.11 1.91 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 1.90 2.31 0.00 63 E 8.66 4.06 0.00 1.94 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 2.40 0.00 64 G 9.10 3.97 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 0.00 0.00 0.00 65 Y 7.39 4.38 0.00 2.95 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 66 S 8.84 4.38 0.00 3.83 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 67 F 8.69 4.18 0.00 3.21 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 68 D 8.25 4.37 0.00 2.77 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 69 E 7.91 3.90 0.00 2.01 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 2.30 2.29 0.00 70 V 7.28 3.13 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 0.21 0.00 0.00 -0.01 0.00 0.00 71 A 7.83 3.60 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 72 E 8.08 3.87 0.00 2.01 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 2.42 0.00 73 K 7.64 4.03 0.00 1.84 1.65 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.36 1.54 7.81 74 F 7.74 4.49 0.00 3.21 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 75 E 8.14 4.01 0.00 2.15 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 0.00 2.39 2.58 0.00 76 E 7.89 4.19 0.00 1.96 2.01 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 2.33 2.59 0.00 77 V 7.28 3.72 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 0.89 0.00 0.00 1.04 0.00 0.00 78 E 8.40 4.13 0.00 1.97 1.82 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 2.29 2.33 0.00 79 N 8.99 4.36 0.00 2.98 2.98 0.00 0.00 6.61 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 80 V 6.97 4.13 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 0.86 0.00 0.00 0.97 0.00 0.00 81 E 8.85 4.07 0.00 1.99 2.01 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 2.30 2.37 0.00 82 S 7.27 4.81 0.00 3.91 3.91 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 83 A 8.68 5.22 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.46 4.70 0.00 2.03 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 2.19 2.26 0.00 85 V 8.53 3.93 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 0.77 0.00 0.00 0.91 0.00 0.00 86 E 9.51 4.36 0.00 1.89 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 2.24 2.22 0.00 87 T 7.48 4.83 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 88 V 8.36 4.80 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 0.82 0.00 0.00 1.10 0.00 0.00 89 S 8.77 4.87 0.00 3.78 3.74 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 0.00 0.00 0.00 90 R 8.79 5.43 0.00 1.84 1.96 0.00 2.62 0.00 0.00 3.95 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.48 0.00 91 I 7.87 4.30 1.93 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 1.28 0.80 0.96 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.