NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6213 8.1476 118.3365 54.9746 33.9045 173.4714 2 V 4.1934 8.1423 118.6322 60.9131 32.7855 174.1446 3 K 5.0709 10.2009 125.6845 54.5619 36.5709 176.0267 4 I 4.9190 7.9681 121.8370 59.7627 39.6083 175.2559 5 R 5.1091 8.9203 122.4385 55.7912 33.4803 173.7890 6 L 4.6828 8.5640 119.7640 54.3905 42.4476 176.9267 7 A 4.7026 8.7157 126.8393 49.9487 19.8254 175.7168 8 R 3.5929 8.6024 121.0439 58.1777 30.8535 176.1699 9 F 4.3428 7.6831 120.4541 57.8363 42.8107 172.3424 10 G 3.7265 9.3062 111.3950 45.9412 0.0000 174.0592 11 S 4.3102 8.3717 113.4755 57.7650 62.8050 173.8685 12 K 4.0289 8.4160 119.6365 57.8428 32.5257 177.7263 13 H 4.1543 8.8503 118.7603 56.6493 27.3409 174.3461 14 N 5.1266 7.7418 116.3261 51.2978 38.8224 172.6257 15 P 4.2392 0.0000 0.0000 64.3073 31.5476 177.2728 16 H 4.9525 8.1620 116.5723 54.3332 29.1189 172.5414 17 Y 4.3807 7.9042 115.6848 58.4241 39.1700 178.9609 18 R 4.5662 8.1951 120.7107 55.1229 29.8353 173.2408 19 I 3.8438 7.2135 120.1563 58.8215 37.9481 175.2558 20 V 4.6514 9.1306 126.5972 60.6335 35.6746 173.3916 21 V 5.3061 8.3162 113.7694 58.9419 34.3948 175.4928 22 T 4.7087 7.9378 114.0974 60.3824 72.9837 171.6062 23 D 4.7267 8.9892 120.9567 54.7318 41.7003 177.6141 24 A 3.9068 9.2170 130.4242 55.4024 18.8646 178.9488 25 R 4.0521 8.4041 114.1996 58.8437 30.3110 177.6285 26 R 4.1047 8.0871 116.9283 55.8430 30.8863 176.2792 27 K 4.2789 8.3640 118.0470 55.9925 33.7603 176.9741 28 R 3.4231 8.3213 114.1063 61.4031 30.5275 177.3390 29 D 4.7594 8.4514 119.6100 54.2597 40.1824 175.3452 30 G 4.2303 7.4130 109.1167 43.5052 0.0000 171.1737 31 K 4.0512 8.5404 122.5119 55.5170 32.7600 176.7153 32 Y 4.7553 7.4544 124.1193 55.5308 40.0839 175.7654 33 I 4.0470 8.8545 121.1006 63.9132 38.2139 176.7447 34 E 4.9770 7.6755 118.5507 55.3263 32.6072 175.4881 35 K 4.1852 8.9501 128.5165 56.0486 33.4612 176.4062 36 I 4.5765 8.2758 116.8797 60.1669 40.2790 175.1024 37 G 4.6513 7.4564 109.3674 46.6915 0.0000 170.1683 38 Y 4.7002 7.1335 116.0426 58.3905 40.6316 173.5005 39 Y 6.3000 8.3807 128.7520 58.3598 41.7493 172.8940 40 D 4.7500 8.4427 128.8642 52.0469 41.7257 175.1566 41 P 4.7966 0.0000 0.0000 65.3518 31.2872 177.2871 42 R 4.0469 8.3232 116.1164 57.0189 30.8931 176.8844 43 K 4.2318 8.2203 117.3805 57.8229 29.4447 174.2049 44 T 4.2259 8.5586 114.1759 64.0697 70.4439 176.9477 45 T 4.1971 7.7384 119.2318 61.9188 69.0725 173.5966 46 P 4.4928 0.0000 0.0000 64.8873 31.4713 176.7837 47 D 4.9824 8.1244 118.5522 52.9143 42.0903 174.9538 48 W 4.5055 8.9789 119.9352 58.1285 29.1685 176.5005 49 L 4.5932 6.9511 118.7870 52.1221 45.1781 175.5962 50 K 4.3569 6.8399 126.2459 56.2699 35.2165 173.4984 51 V 4.8996 8.0754 126.7659 60.3353 35.0763 175.0586 52 D 4.7724 8.0845 119.8289 50.9211 41.0860 175.8520 53 V 3.4913 8.0308 117.4871 64.2366 31.6879 177.0935 54 E 3.9361 7.3371 116.5552 60.0057 28.9945 179.6686 55 R 4.0538 8.4132 117.5153 59.0428 29.9450 178.6574 56 A 4.6377 8.1912 120.1103 55.6141 18.0437 179.1589 57 R 4.1679 8.0701 114.4388 57.8623 30.5455 177.8267 58 Y 4.1683 9.2150 120.5789 60.0759 38.7062 177.2779 59 W 4.2990 8.1671 119.0538 59.3651 28.6807 177.8472 60 L 4.0277 7.7325 117.4004 56.4552 41.1182 178.6622 61 S 4.3638 8.0850 113.5456 59.6990 63.2689 175.2160 62 V 3.9931 6.7820 113.9361 60.4171 31.8262 172.6197 63 G 3.9310 9.1792 113.9057 45.9793 0.0000 174.6554 64 A 5.0223 8.6111 127.1989 55.9056 19.5955 176.9532 65 Q 3.6139 7.5353 120.5267 56.0586 26.3641 175.7856 66 P 4.7962 0.0000 0.0000 61.6064 32.8079 176.2864 67 T 3.9689 8.3783 116.9092 64.2865 69.5241 174.7035 68 D 4.4183 8.9255 124.3603 58.0243 40.7412 178.9327 69 T 4.2628 7.7504 105.7330 62.5917 69.4765 175.2803 70 A 4.3325 7.5684 124.1492 54.3890 18.8931 178.9417 71 R 3.8907 8.6199 117.6034 60.3116 30.1499 178.8454 72 R 4.2240 7.7013 117.8850 59.2083 29.5612 177.0868 73 L 4.1582 7.6759 116.7345 54.7997 41.5382 177.8645 74 L 4.5503 9.1894 121.0890 55.3123 43.4879 178.7882 75 R 4.2153 8.0627 118.2931 59.7115 30.0969 178.0635 76 Q 4.0147 7.9204 116.9610 57.7572 29.2832 175.9091 77 A 4.2493 7.3203 120.2399 51.1959 18.8681 176.7270 78 G 3.8588 7.6920 107.4038 47.5271 0.0000 173.6218 79 V 4.1676 8.0132 121.5640 61.8702 33.7103 176.2821 80 F 4.6339 8.0637 116.3811 60.2973 39.9572 175.7946 81 R 3.6615 6.9685 117.4435 54.9329 30.3313 175.2382 82 Q 4.4389 8.4041 121.6925 54.5232 29.9108 174.0145 83 E 3.6255 7.6608 117.2137 57.2246 28.4236 174.0255 *84 A 4.1104 7.8945 128.0743 52.7521 18.9361 176.6753 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 1 M 8.15 4.62 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.51 0.00 2 V 8.14 4.19 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 0.83 0.00 0.00 0.88 0.00 0.00 3 K 10.20 5.07 0.00 1.64 1.72 0.00 1.63 0.00 0.00 1.72 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.56 1.38 7.81 4 I 7.97 4.92 1.87 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 1.41 0.57 0.88 0.00 0.00 5 R 8.92 5.11 0.00 1.83 2.01 0.00 3.07 0.00 0.00 3.28 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.46 0.00 6 L 8.56 4.68 0.00 1.69 2.08 0.96 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 7 A 8.72 4.70 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 8 R 8.60 3.59 0.00 1.48 1.70 0.00 3.05 0.00 0.00 3.06 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.67 0.00 9 F 7.68 4.34 0.00 3.05 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 10 G 9.31 3.73 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 0.00 0.00 0.00 11 S 8.37 4.31 0.00 3.95 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 12 K 8.42 4.03 0.00 1.72 1.55 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.24 1.35 7.81 13 H 8.85 4.15 0.00 3.35 3.37 0.00 5.69 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 14 N 7.74 5.13 0.00 2.67 2.72 0.00 0.00 7.10 7.76 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 15 P 0.00 4.24 0.00 2.23 1.99 0.00 3.79 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 16 H 8.16 4.95 0.00 3.09 3.24 0.00 5.85 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Y 7.90 4.38 0.00 2.93 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 18 R 8.20 4.57 0.00 1.06 1.52 0.00 2.87 0.00 0.00 2.89 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.18 0.00 19 I 7.21 3.84 1.72 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.12 0.85 0.00 0.00 20 V 9.13 4.65 1.73 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 0.76 0.00 0.00 0.03 0.00 0.00 21 V 8.32 5.31 1.39 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 0.19 0.00 0.00 0.28 0.00 0.00 22 T 7.94 4.71 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 1.31 0.00 0.00 23 D 8.99 4.73 0.00 2.76 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 24 A 9.22 3.91 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 25 R 8.40 4.05 0.00 1.89 2.01 0.00 3.19 0.00 0.00 3.23 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 26 R 8.09 4.10 0.00 1.77 1.91 0.00 3.13 0.00 0.00 3.44 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 27 K 8.36 4.28 0.00 1.90 1.93 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.35 7.81 28 R 8.32 3.42 0.00 1.82 1.84 0.00 3.35 0.00 0.00 3.29 7.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 29 D 8.45 4.76 0.00 2.61 2.44 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 30 G 7.41 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 31 K 8.54 4.05 0.00 1.64 1.68 0.00 1.68 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.33 1.28 7.81 32 Y 7.45 4.76 0.00 2.88 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 33 I 8.85 4.05 1.63 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 1.16 0.63 0.87 0.00 0.00 34 E 7.68 4.98 0.00 2.17 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 2.22 2.28 0.00 35 K 8.95 4.19 0.00 1.55 1.64 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.17 7.81 36 I 8.28 4.58 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.44 0.99 0.00 0.00 37 G 7.46 4.65 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 0.00 38 Y 7.13 4.70 0.00 2.94 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 39 Y 8.38 6.30 0.00 2.82 2.97 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 40 D 8.44 4.75 0.00 2.66 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 41 P 0.00 4.80 0.00 2.23 2.00 0.00 3.76 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 42 R 8.32 4.05 0.00 2.09 2.02 0.00 3.28 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 43 K 8.22 4.23 0.00 1.24 1.08 0.00 1.46 0.00 0.00 1.32 0.00 0.00 2.65 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.30 1.38 7.81 44 T 8.56 4.23 4.27 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 1.27 0.00 0.00 45 T 7.74 4.20 4.37 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 1.37 0.00 0.00 46 P 0.00 4.49 0.00 2.24 2.25 0.00 3.80 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.06 0.00 47 D 8.12 4.98 0.00 2.82 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 48 W 8.98 4.51 0.00 4.03 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 L 6.95 4.59 0.00 0.27 0.51 0.44 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 50 K 6.84 4.36 0.00 1.43 0.74 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.10 1.07 7.81 51 V 8.08 4.90 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 1.09 0.00 0.00 0.75 0.00 0.00 52 D 8.08 4.77 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 53 V 8.03 3.49 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 0.67 0.00 0.00 0.88 0.00 0.00 54 E 7.34 3.94 0.00 2.11 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 2.33 2.50 0.00 55 R 8.41 4.05 0.00 2.07 2.30 0.00 3.31 0.00 0.00 3.69 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.84 0.00 56 A 8.19 4.64 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 57 R 8.07 4.17 0.00 2.02 1.99 0.00 3.13 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.66 0.00 58 Y 9.22 4.17 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 59 W 8.17 4.30 0.00 3.50 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 60 L 7.73 4.03 0.00 1.83 1.75 1.01 0.80 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 61 S 8.08 4.36 0.00 3.89 4.08 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 62 V 6.78 3.99 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 0.11 0.00 0.00 0.68 0.00 0.00 63 G 9.18 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 0.00 0.00 0.00 64 A 8.61 5.02 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 7.54 3.61 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 66 P 0.00 4.80 0.00 2.21 2.08 0.00 3.85 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 2.04 2.08 0.00 67 T 8.38 3.97 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 1.23 0.00 0.00 68 D 8.93 4.42 0.00 2.69 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 69 T 7.75 4.26 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 70 A 7.57 4.33 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 71 R 8.62 3.89 0.00 2.00 2.18 0.00 3.11 0.00 0.00 2.95 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 72 R 7.70 4.22 0.00 1.96 1.96 0.00 3.14 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 73 L 7.68 4.16 0.00 1.70 1.31 0.94 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 74 L 9.19 4.55 0.00 1.63 1.28 0.89 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.06 4.22 0.00 2.22 2.04 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.00 76 Q 7.92 4.01 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.11 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 77 A 7.32 4.25 1.14 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 0.00 0.00 78 G 7.69 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 79 V 8.01 4.17 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 0.10 0.00 0.00 0.70 0.00 0.00 80 F 8.06 4.63 0.00 3.06 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 81 R 6.97 3.66 0.00 1.83 1.80 0.00 3.18 0.00 0.00 3.44 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.70 0.00 82 Q 8.40 4.44 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 5.96 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 83 E 7.66 3.63 0.00 2.15 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 2.21 2.23 0.00 *84 A 7.89 4.11 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 * Residues marked with a * may have inaccurate shift predictions.