NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 A 4.4112 8.2649 123.5938 52.0149 19.9675 176.0264 3 I 4.0952 8.2742 120.9636 59.1923 38.6391 173.8497 4 D 4.5044 8.3175 124.4330 53.2274 42.4916 176.7183 5 V 2.6441 8.2386 127.6791 65.0387 30.7023 178.0023 6 L 4.7382 7.7054 118.7385 56.2599 41.5862 178.4988 7 D 4.4354 7.9468 118.4010 56.1257 40.7826 178.1689 8 V 3.9766 7.2599 117.6859 63.3890 32.5908 175.7723 9 I 4.3310 7.4802 119.7685 58.2933 40.1265 175.5571 10 S 4.6738 8.3042 120.4342 58.0006 64.8663 174.9249 11 L 4.0822 8.4408 124.0378 58.4531 41.8731 178.9479 12 S 4.1062 8.1342 112.5426 61.6486 62.2823 176.1236 13 L 3.9318 7.7823 121.2409 57.6360 41.2930 179.4727 14 F 3.8148 7.9039 117.7859 60.4819 38.7987 177.9126 15 K 4.2640 8.3714 118.1277 59.5516 31.8328 179.4847 16 Q 4.0955 8.2421 118.4907 58.8069 28.3521 178.3429 17 Q 4.0533 8.0127 120.1212 58.8110 29.1212 177.8444 18 I 4.2361 7.2579 109.0460 59.3518 38.7070 175.2683 19 E 3.6967 7.8099 118.4318 57.8388 27.4271 175.3385 20 F 4.7122 8.6697 119.9557 56.7142 40.4927 174.7479 21 E 4.1886 8.0760 127.7467 57.7234 30.1187 176.9889 22 E 4.0390 6.6526 117.1414 56.2506 30.0338 175.8807 23 D 4.9272 8.5571 118.6076 54.2933 41.8133 175.8051 24 D 4.9820 8.2094 115.4460 53.6632 39.6932 176.4493 25 R 4.7924 7.7935 117.3643 55.9903 31.8647 177.2983 26 D 4.3726 8.4522 120.7067 57.3874 40.8200 177.8159 27 E 3.8529 8.0642 119.3876 59.0314 29.7468 178.4172 28 L 3.6292 7.6972 119.7649 58.2003 42.2611 178.6929 29 I 3.8340 7.8062 119.8399 64.8688 36.9913 178.5257 30 T 3.7312 8.0358 116.5432 66.4370 68.1462 176.4128 31 L 4.0484 7.7992 122.1976 58.3580 42.0133 178.6158 32 Y 4.4033 7.8966 116.4962 61.0833 37.7191 178.4881 33 A 3.7411 8.2248 121.6367 55.1878 18.2615 179.7068 34 Q 3.9907 8.2711 116.4410 59.0127 28.8114 178.8560 35 A 4.0827 8.4122 121.7430 55.2761 18.4034 179.5529 36 A 4.1229 8.5339 119.6071 55.2641 18.2599 179.6717 37 F 4.2199 8.5305 118.4278 61.4842 39.6175 176.3290 38 D 4.5260 8.3595 116.6036 57.6694 41.3102 177.4333 39 Y 4.2889 8.2538 119.6878 60.8657 38.7765 178.5600 40 C 4.2597 8.3260 115.9016 60.3999 26.6398 175.8310 *42 R 4.1782 7.9907 122.0740 56.0937 31.8263 177.9564 43 W 3.8725 8.1038 126.7025 60.5434 30.9405 177.0817 44 C 4.3063 8.7342 116.3133 60.8714 28.1193 173.2684 45 D 4.1731 7.1846 116.7187 55.4210 39.5038 174.5685 46 E 4.0216 7.1564 120.3167 53.3801 29.4691 173.8216 47 P 4.3001 0.0000 0.0000 64.3054 31.8125 177.9657 48 A 3.9298 8.1322 122.3311 54.3746 18.2912 177.5361 49 W 4.9621 7.4480 115.4033 56.1505 27.9842 175.7627 50 K 4.4810 9.4507 123.8931 56.5607 33.1760 177.4604 51 V 4.5705 7.6802 110.1205 58.7116 35.6283 175.9179 52 A 3.9615 8.8309 123.9211 55.6806 18.0998 180.1196 53 A 4.0904 7.8664 116.6033 54.8613 18.6332 178.3181 54 D 4.4474 8.1614 115.3695 56.3881 41.1402 176.7957 55 I 2.9293 7.1117 120.6239 59.7923 37.5047 174.9132 56 P 4.2750 0.0000 0.0000 61.7970 33.2630 177.1992 57 A 3.9162 8.4782 122.0033 55.4818 18.3777 180.1856 58 A 4.0008 7.9643 118.6984 55.2039 18.5213 179.9008 59 V 3.6002 7.6458 116.4944 65.9197 31.6398 178.1534 60 K 4.0532 8.0306 118.5133 59.4140 31.9168 179.4432 61 G 3.5950 8.1162 105.6805 47.7911 0.0000 175.5783 62 A 4.0493 7.9921 123.2749 54.8199 18.3038 179.9184 63 V 3.7057 8.0574 116.7783 66.1804 31.6360 178.2062 64 L 4.2370 8.1804 118.7830 57.9359 41.5920 179.5749 65 L 4.0514 7.9979 118.8011 57.8459 41.3518 179.8164 66 V 3.5976 7.9723 117.3494 65.6962 31.5530 177.4486 67 F 4.3089 8.6047 119.7457 61.5031 39.6212 176.7708 68 A 3.7523 8.3672 120.2879 54.6672 17.9871 179.4758 69 D 4.1458 7.6714 113.5228 55.0937 40.9348 177.7302 *71 F 3.8197 7.9813 121.2132 57.1139 40.9275 175.6030 72 E 3.9972 7.8646 118.2545 57.3877 29.7979 175.6463 73 H 4.6936 7.9898 115.3352 54.2251 29.4989 173.4168 74 R 4.3469 8.3314 122.1831 55.7853 29.8877 176.7183 75 T 4.5976 7.3310 108.3527 59.2267 71.2198 175.0379 76 A 4.1624 8.5758 126.1998 54.4454 18.7568 177.6951 77 Q 4.6261 7.3872 111.0878 54.0284 32.5727 174.6775 78 S 4.7795 8.1662 114.2338 56.3483 66.1302 174.1478 79 E 4.0791 8.7446 120.6843 58.2583 29.6391 177.5755 80 V 4.3631 7.3484 111.6205 58.8875 33.6904 175.5936 81 Q 3.8755 8.5410 123.4194 56.2068 29.1310 175.9332 82 L 4.4950 7.8109 120.8673 53.0299 43.9382 175.4421 83 Y 4.6705 7.9675 118.7860 55.6257 40.4919 175.4641 84 E 3.9136 8.8529 125.5188 56.2567 29.9190 175.4071 85 N 4.6249 8.7119 124.7092 52.4440 39.5706 175.4384 86 A 4.0756 8.6356 128.0353 54.6653 18.2343 178.6725 87 A 3.9121 8.2183 119.0913 55.3924 18.4417 179.2985 88 A 4.0838 7.4072 117.2121 55.3954 18.5906 179.4333 89 E 3.8157 7.9520 114.1274 58.5442 31.4178 178.7232 90 R 4.2053 7.8570 120.1590 56.2658 26.0979 176.3831 *93 F 5.0071 7.8182 123.8763 58.2107 41.5649 176.3989 94 I 4.1086 7.8799 118.5093 63.1617 37.8062 175.6061 95 H 5.0586 8.0530 114.6155 55.8006 30.2445 173.0057 96 R 4.1364 7.8325 120.9243 55.9520 30.3803 176.0398 97 N 4.3246 8.6841 123.1808 53.8561 38.8126 174.3354 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 A 8.26 4.41 1.35 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 0.00 0.00 0.00 3 I 8.27 4.10 2.27 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.93 0.00 0.00 4 D 8.32 4.50 0.00 2.64 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 5 V 8.24 2.64 1.65 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 0.66 0.00 0.00 0.99 0.00 0.00 6 L 7.71 4.74 0.00 1.73 1.76 0.89 1.15 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 7 D 7.95 4.44 0.00 2.74 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 8 V 7.26 3.98 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 0.86 0.00 0.00 0.76 0.00 0.00 9 I 7.48 4.33 1.24 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.94 -0.07 0.00 0.00 10 S 8.30 4.67 0.00 4.01 3.94 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 11 L 8.44 4.08 0.00 1.81 1.74 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 12 S 8.13 4.11 0.00 3.92 3.84 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 13 L 7.78 3.93 0.00 1.73 1.34 0.86 0.91 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 14 F 7.90 3.81 0.00 3.02 2.41 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 15 K 8.37 4.26 0.00 2.02 2.23 0.00 1.97 0.00 0.00 1.92 0.00 0.00 3.04 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.64 1.78 7.81 16 Q 8.24 4.10 0.00 2.22 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 17 Q 8.01 4.05 0.00 2.06 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.09 0.00 0.00 0.00 0.00 0.00 2.68 2.59 0.00 18 I 7.26 4.24 1.42 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.84 0.75 0.00 0.00 19 E 7.81 3.70 0.00 2.15 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 2.28 2.25 0.00 20 F 8.67 4.71 0.00 2.64 2.91 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 21 E 8.08 4.19 0.00 1.80 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 2.19 2.19 0.00 22 E 6.65 4.04 0.00 1.16 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 0.00 2.17 2.22 0.00 23 D 8.56 4.93 0.00 2.61 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 24 D 8.21 4.98 0.00 2.87 2.77 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 25 R 7.79 4.79 0.00 2.00 1.89 0.00 3.30 0.00 0.00 3.38 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 26 D 8.45 4.37 0.00 2.71 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 27 E 8.06 3.85 0.00 2.01 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 2.34 2.34 0.00 28 L 7.70 3.63 0.00 1.64 1.63 0.58 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 29 I 7.81 3.83 1.98 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 1.61 0.63 1.08 0.00 0.00 30 T 8.04 3.73 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 1.15 0.00 0.00 31 L 7.80 4.05 0.00 1.75 1.61 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.90 4.40 0.00 3.36 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 33 A 8.22 3.74 0.22 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 34 Q 8.27 3.99 0.00 2.29 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.44 0.00 35 A 8.41 4.08 1.50 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 0.00 0.00 36 A 8.53 4.12 1.65 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 0.00 0.00 37 F 8.53 4.22 0.00 3.14 3.35 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 0.00 38 D 8.36 4.53 0.00 2.95 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.25 4.29 0.00 3.28 3.20 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 40 C 8.33 4.26 0.00 3.06 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 *42 R 7.99 4.18 0.00 2.08 1.95 0.00 3.17 0.00 0.00 3.43 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 43 W 8.10 3.87 0.00 2.95 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 44 C 8.73 4.31 0.00 3.25 3.06 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 45 D 7.18 4.17 0.00 2.74 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 46 E 7.16 4.02 0.00 1.16 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 1.47 1.47 0.00 47 P 0.00 4.30 0.00 2.14 2.08 0.00 3.59 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.85 0.00 48 A 8.13 3.93 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.45 4.96 0.00 3.42 3.06 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 50 K 9.45 4.48 0.00 1.77 1.90 0.00 1.68 0.00 0.00 1.73 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.60 7.81 51 V 7.68 4.57 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 0.82 0.00 0.00 1.02 0.00 0.00 52 A 8.83 3.96 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 53 A 7.87 4.09 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 D 8.16 4.45 0.00 2.90 2.91 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 55 I 7.11 2.93 1.72 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.87 0.62 0.00 0.00 56 P 0.00 4.28 0.00 1.73 1.78 0.00 2.51 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.86 0.00 57 A 8.48 3.92 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 58 A 7.96 4.00 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 59 V 7.65 3.60 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 1.03 0.00 0.00 0.89 0.00 0.00 60 K 8.03 4.05 0.00 1.99 1.77 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.50 7.81 61 G 8.12 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.99 4.05 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 63 V 8.06 3.71 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 1.23 0.00 0.00 64 L 8.18 4.24 0.00 1.94 1.77 0.81 0.14 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 65 L 8.00 4.05 0.00 1.92 1.74 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.97 3.60 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 0.72 0.00 0.00 0.99 0.00 0.00 67 F 8.60 4.31 0.00 3.19 3.60 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.37 3.75 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 69 D 7.67 4.15 0.00 2.89 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 *71 F 7.98 3.82 0.00 2.37 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 72 E 7.86 4.00 0.00 1.59 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 2.51 2.37 0.00 73 H 7.99 4.69 0.00 3.06 3.11 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 8.33 4.35 0.00 1.68 1.88 0.00 2.99 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.35 0.00 75 T 7.33 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 1.17 0.00 0.00 76 A 8.58 4.16 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 77 Q 7.39 4.63 0.00 1.94 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.64 0.00 0.00 0.00 0.00 0.00 2.25 2.24 0.00 78 S 8.17 4.78 0.00 3.85 3.71 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 79 E 8.74 4.08 0.00 1.94 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 2.29 2.37 0.00 80 V 7.35 4.36 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 0.73 0.00 0.00 0.89 0.00 0.00 81 Q 8.54 3.88 0.00 1.86 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.21 0.00 82 L 7.81 4.49 0.00 1.41 1.39 0.73 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 83 Y 7.97 4.67 0.00 2.96 2.83 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 0.00 0.00 0.00 0.00 84 E 8.85 3.91 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 85 N 8.71 4.62 0.00 2.78 2.69 0.00 0.00 7.10 8.15 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 86 A 8.64 4.08 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 87 A 8.22 3.91 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 88 A 7.41 4.08 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 89 E 7.95 3.82 0.00 1.89 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 0.00 2.26 2.42 0.00 90 R 7.86 4.21 0.00 1.88 1.93 0.00 3.11 0.00 0.00 3.00 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.87 0.00 *93 F 7.82 5.01 0.00 3.50 3.37 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 94 I 7.88 4.11 2.21 0.00 0.00 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 1.37 0.87 0.94 0.00 0.00 95 H 8.05 5.06 0.00 3.40 3.70 0.00 5.95 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 R 7.83 4.14 0.00 1.80 1.56 0.00 2.62 0.00 0.00 2.76 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.34 0.00 97 N 8.68 4.32 0.00 2.37 2.64 0.00 0.00 7.08 7.23 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 * Residues marked with a * may have inaccurate shift predictions.